Year |
Citation |
Score |
2023 |
Zou Z, Zhang Y, Liang L, Wei M, Leng J, Jiang J, Luo Y, Hu W. A deep learning model for predicting selected organic molecular spectra. Nature Computational Science. 3: 957-964. PMID 38177591 DOI: 10.1038/s43588-023-00550-y |
0.333 |
|
2022 |
Zhong Y, Low J, Zhu Q, Jiang Y, Yu X, Wang X, Zhang F, Shang W, Long R, Yao Y, Yao W, Jiang J, Luo Y, Wang W, Yang J, et al. resource utilization of lunar soil for highly efficient extraterrestrial fuel and oxygen supply. National Science Review. 10: nwac200. PMID 36817839 DOI: 10.1093/nsr/nwac200 |
0.401 |
|
2022 |
Feng S, Luo Y, Jiang J, Wang S. Examining the Long-Range Effect in Very Long Graphene Nanoribbons: A First-Principles Study. The Journal of Physical Chemistry Letters. 11223-11229. PMID 36445836 DOI: 10.1021/acs.jpclett.2c03184 |
0.358 |
|
2022 |
Wang X, Jiang S, Hu W, Ye S, Wang T, Wu F, Yang L, Li X, Zhang G, Chen X, Jiang J, Luo Y. Quantitatively Determining Surface-Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning. Journal of the American Chemical Society. PMID 36001497 DOI: 10.1021/jacs.2c06288 |
0.498 |
|
2022 |
Cheng A, Jiang Y, Su H, Zhang B, Jiang J, Wang T, Luo Y, Zhang G. Origin of Red-Shifted Phosphorescence from Triphenylamines: Triplet Excimer or Impurity? Angewandte Chemie (International Ed. in English). PMID 35670291 DOI: 10.1002/anie.202206366 |
0.305 |
|
2022 |
Kong FF, Tian XJ, Zhang Y, Zhang Y, Chen G, Yu YJ, Jing SH, Gao HY, Luo Y, Yang JL, Dong ZC, Hou JG. Wavelike electronic energy transfer in donor-acceptor molecular systems through quantum coherence. Nature Nanotechnology. PMID 35668169 DOI: 10.1038/s41565-022-01142-z |
0.375 |
|
2021 |
Dang Q, Tang S, Liu T, Li X, Wang X, Zhong W, Luo Y, Jiang J. Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS for Efficient Nitrogen Fixation. The Journal of Physical Chemistry Letters. 8355-8362. PMID 34432475 DOI: 10.1021/acs.jpclett.1c02432 |
0.501 |
|
2021 |
Ye K, Hu M, Li QK, Luo Y, Jiang J, Zhang G. Cooperative Single-Atom Active Centers for Attenuating the Linear Scaling Effect in the Nitrogen Reduction Reaction. The Journal of Physical Chemistry Letters. 5233-5240. PMID 34047561 DOI: 10.1021/acs.jpclett.1c01307 |
0.331 |
|
2021 |
Zhou H, He F, Chong Y, He L, Jiang J, Luo Y, Zhang G. Bridged Azobenzene Enables Dynamic Control of Through-Space Charge Transfer for Photochemical Conversion. The Journal of Physical Chemistry Letters. 3868-3874. PMID 33856794 DOI: 10.1021/acs.jpclett.1c00772 |
0.305 |
|
2021 |
Wu F, Zhan S, Yang L, Zhuo Z, Wang X, Li X, Luo Y, Jiang J. Spatial Confinement of a Carbon Nanocone for an Efficient Oxygen Evolution Reaction. The Journal of Physical Chemistry Letters. 2252-2258. PMID 33635648 DOI: 10.1021/acs.jpclett.1c00267 |
0.523 |
|
2021 |
Kong FF, Tian XJ, Zhang Y, Yu YJ, Jing SH, Zhang Y, Tian GJ, Luo Y, Yang JL, Dong ZC, Hou JG. Probing intramolecular vibronic coupling through vibronic-state imaging. Nature Communications. 12: 1280. PMID 33627671 DOI: 10.1038/s41467-021-21571-z |
0.404 |
|
2021 |
Xu J, Zhu X, Tan S, Zhang Y, Li B, Tian Y, Shan H, Cui X, Zhao A, Dong Z, Yang J, Luo Y, Wang B, Hou JG. Determining structural and chemical heterogeneities of surface species at the single-bond limit. Science (New York, N.Y.). 371: 818-822. PMID 33602852 DOI: 10.1126/science.abd1827 |
0.39 |
|
2021 |
Wang RP, Yang B, Fu Q, Zhang Y, Zhu R, Dong XR, Zhang Y, Wang B, Yang JL, Luo Y, Dong ZC, Hou JG. Raman Detection of Bond Breaking and Making of a Chemisorbed Up-Standing Single Molecule at Single-Bond Level. The Journal of Physical Chemistry Letters. 1961-1968. PMID 33591760 DOI: 10.1021/acs.jpclett.1c00074 |
0.395 |
|
2021 |
Tang S, Liu T, Dang Q, Zhou X, Li J, Ge Z, Che H, Luo Y, Jiang J. Synergistic Effect of Boron Nitride and Carbon Domains in Boron Carbide Nitride Nanotube Supported Single Atom Catalysts for Efficient Nitrogen Fixation. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33565653 DOI: 10.1002/chem.202005182 |
0.367 |
|
2020 |
Zhu Q, Jiang S, Ye K, Hu W, Zhang J, Niu X, Lin Y, Chen S, Song L, Zhang Q, Jiang J, Luo Y. Hydrogen-Doping-Induced Metal-Like Ultrahigh Free-Carrier Concentration in Metal-Oxide Material for Giant and Tunable Plasmon Resonance. Advanced Materials (Deerfield Beach, Fla.). e2004059. PMID 33174328 DOI: 10.1002/adma.202004059 |
0.337 |
|
2020 |
Tang S, Dang Q, Liu T, Zhang S, Zhou Z, Li X, Wang X, Sharman E, Luo Y, Jiang J. Realizing a Not-Strong-Not-Weak Polarization Electric Field in Single-Atom Catalysts Sandwiched by Boron Nitride and Graphene Sheets for Efficient Nitrogen Fixation. Journal of the American Chemical Society. PMID 33108173 DOI: 10.1021/jacs.0c09527 |
0.542 |
|
2020 |
Gong ZY, Xie Z, Tian G, Duan S, Luo Y. Harvesting of surface plasmon polaritons: Role of the confinement factor. The Journal of Chemical Physics. 153: 094107. PMID 32891094 DOI: 10.1063/5.0019914 |
0.349 |
|
2020 |
Li J, Luo Y. The correct assignment of vibrationally-resolved absorption spectra of protonated anthracene isomers. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 244: 118832. PMID 32871391 DOI: 10.1016/J.Saa.2020.118832 |
0.305 |
|
2020 |
Hua W, Tian G, Luo Y. Theoretical assessment of vibrationally resolved C1s X-ray photoelectron spectra of simple cyclic molecules. Physical Chemistry Chemical Physics : Pccp. PMID 32869787 DOI: 10.1039/D0Cp02970J |
0.355 |
|
2020 |
Liao F, Huang W, Chen B, Ding Z, Li X, Su H, Wang T, Wang Y, Miao H, Zhang X, Luo Y, Yang J, Zhang G. Are pyridinium ylides radicals? Chemical Communications (Cambridge, England). PMID 32839790 DOI: 10.1039/D0Cc04604C |
0.455 |
|
2020 |
Sun J, Feng S, Wang X, Zhang G, Luo Y, Jiang J. Regulation of Electronic Structure of Graphene Nanoribbon by Tuning Long-Range Dopant-Dopant Coupling at Distance of Tens of Nanometers. The Journal of Physical Chemistry Letters. 6907-6913. PMID 32787204 DOI: 10.1021/Acs.Jpclett.0C01839 |
0.562 |
|
2020 |
Xie L, Jiang HJ, Li D, Liu M, Ding Y, Liu Y, Li X, Li X, Zhang H, Hou ZH, Luo Y, Chi L, Qiu X, Xu W. Selectively Scissoring Hydrogen-Bonded Cytosine Dimer Structures Catalyzed by Water Molecules. Acs Nano. PMID 32687310 DOI: 10.1021/Acsnano.0C05227 |
0.32 |
|
2020 |
Tang S, Liu T, Dang Q, Zhou X, Li XK, Yang T, Luo Y, Sharman E, Jiang J. Synergistic Effect of Surface Terminated Oxygen Vacancy and Single Atom Catalysts on Defective MXenes for Efficient Nitrogen Fixation. The Journal of Physical Chemistry Letters. PMID 32536165 DOI: 10.1021/Acs.Jpclett.0C01415 |
0.44 |
|
2020 |
Li X, Zhu L, Li B, Li J, Gao P, Yang L, Zhao A, Luo Y, Hou J, Zheng X, Wang B, Yang J. Molecular molds for regularizing Kondo states at atom/metal interfaces. Nature Communications. 11: 2566. PMID 32444665 DOI: 10.1038/S41467-020-16402-6 |
0.462 |
|
2020 |
Zhang Y, Su P, Mu Y, Zhang GP, Luo Y, Jiang J, Hu W. Mechanism Study of Molecular Deformation of 2,2',5',2"-tetramethylated p-terphenyl-4,4"-dithiol Trapped in Gold Junctions. The Journal of Physical Chemistry Letters. PMID 32419469 DOI: 10.1021/Acs.Jpclett.0C01102 |
0.403 |
|
2020 |
Xie Z, Duan S, Wang CK, Luo Y. Finding the true pathway for reversible isomerization of a single azobenzene molecule tumbling on Au(111) surface. Nanoscale. PMID 32373867 DOI: 10.1039/D0Nr01629B |
0.311 |
|
2020 |
Ye K, Hu M, Li QK, Han Y, Luo Y, Jiang J, Zhang G. Cooperative Nitrogen Activation and Ammonia Synthesis on Densely Monodispersed Mo-N-C Sites. The Journal of Physical Chemistry Letters. PMID 32354216 DOI: 10.1021/Acs.Jpclett.0C00302 |
0.397 |
|
2020 |
Yu H, Wang Y, Wang X, Zhang J, Ye S, Huang Y, Luo Y, Sharman E, Chen SL, Jiang J. Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls. The Journal of Physical Chemistry. A. PMID 32315178 DOI: 10.1021/Acs.Jpca.0C01280 |
0.549 |
|
2020 |
Wang X, Ye S, Hu W, Sharman E, Liu R, Liu Y, Luo Y, Jiang J. Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions. Journal of the American Chemical Society. PMID 32297511 DOI: 10.1021/Jacs.0C01825 |
0.571 |
|
2020 |
Wang H, Jiang S, Liu W, Zhang X, Zhang Q, Luo Y, Xie Y. Ketones as Molecular Co-catalysts for Boosting Exciton-Involved Photocatalytic Molecular Oxygen Activation. Angewandte Chemie (International Ed. in English). PMID 32219966 DOI: 10.1002/Anie.202003042 |
0.328 |
|
2020 |
Zhu Q, Ye K, Zhu W, Xu W, Zou C, Song L, Sharman E, Wang L, Jin S, Zhang G, Luo Y, Jiang J. A Hydrogenated Metal-Oxide with Full Solar Spectrum Absorption for Highly Efficient Photothermal Water Evaporation. The Journal of Physical Chemistry Letters. PMID 32160473 DOI: 10.1021/Acs.Jpclett.0C00592 |
0.409 |
|
2020 |
Han Y, Li QK, Ye K, Luo Y, Jiang J, Zhang G. The impact of active site density on oxygen reduction reactions using monodispersed Fe-N-C single-atom catalysts. Acs Applied Materials & Interfaces. PMID 32153177 DOI: 10.1021/Acsami.0C01206 |
0.422 |
|
2020 |
Li HB, Hua W, Wang Z, Liu A, Jiang J, Luo Y. Theoretical Spectroscopic Studies on Chemical and Electronic Structures of Selenocysteine and Pyrrolysine. The Journal of Physical Chemistry. A. PMID 32091898 DOI: 10.1021/Acs.Jpca.9B10756 |
0.437 |
|
2020 |
Tian M, Wang J, Liu X, Chen W, Liu Z, Du H, Ma X, Cui X, Zhao A, Shi Q, Wang Z, Luo Y, Yang J, Wang B, Hou JG. Creation of Dirac nodal line by extrinsic symmetry engineering. Nano Letters. PMID 32083884 DOI: 10.1021/Acs.Nanolett.0C00233 |
0.428 |
|
2020 |
Xie L, Zhu Q, Zhang G, Ye K, Zou C, Prezhdo OV, Wang Z, Luo Y, Jiang J. Tunable Hydrogen Doping of Metal Oxide Semiconductors with Acid-Metal Treatment at Ambient Condition. Journal of the American Chemical Society. PMID 32081005 DOI: 10.1021/Jacs.0C00561 |
0.401 |
|
2020 |
Jia C, Zhang Y, Wang X, Zhong W, Prezhdo OV, Luo Y, Jiang J. Sharp-tip enhanced catalytic CO oxidation by atomically dispersed Pt1/Pt2 on a raised graphene oxide platform Journal of Materials Chemistry. 8: 12485-12494. DOI: 10.1039/D0Ta04156D |
0.585 |
|
2020 |
Li X, Duan S, Sharman E, Zhao Y, Yang L, Zhuo Z, Cui P, Jiang J, Luo Y. Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atom-based catalysts with dual-active-sites Journal of Materials Chemistry. 8: 10193-10198. DOI: 10.1039/D0Ta01399D |
0.425 |
|
2020 |
Yang B, Chen G, Ghafoor A, Zhang Y, Zhang Y, Zhang Y, Luo Y, Yang J, Sandoghdar V, Aizpurua J, Dong Z, Hou JG. Sub-nanometre resolution in single-molecule photoluminescence imaging Nature Photonics. 14: 693-699. DOI: 10.1038/S41566-020-0677-Y |
0.446 |
|
2020 |
Sheng S, Ji Y, Yan X, Wei H, Luo Y, Xu H. Azo-Dimerization Mechanisms of p-Aminothiophenol and p-Nitrothiophenol Molecules on Plasmonic Metal Surfaces Revealed by Tip-/Surface-Enhanced Raman Spectroscopy The Journal of Physical Chemistry C. 124: 11586-11594. DOI: 10.1021/Acs.Jpcc.0C01367 |
0.313 |
|
2020 |
Liang L, Li X, Zhang J, Ling P, Sun Y, Wang C, Zhang Q, Pan Y, Xu Q, Zhu J, Luo Y, Xie Y. Efficient infrared light induced CO2 reduction with nearly 100% CO selectivity enabled by metallic CoN porous atomic layers Nano Energy. 69: 104421. DOI: 10.1016/J.Nanoen.2019.104421 |
0.318 |
|
2019 |
Zhang Y, Yang B, Ghafoor A, Zhang Y, Zhang YF, Wang RP, Yang JL, Luo Y, Dong ZC, Hou JG. Visually constructing the chemical structure of a single molecule by scanning Raman picoscopy. National Science Review. 6: 1169-1175. PMID 34691995 DOI: 10.1093/nsr/nwz180 |
0.368 |
|
2019 |
Duan S, Xie Z, Tian G, Luo Y. Effects of Plasmon Modes on Resonant Raman Images of a Single Molecule. The Journal of Physical Chemistry Letters. PMID 31878780 DOI: 10.1021/Acs.Jpclett.9B03491 |
0.308 |
|
2019 |
Ji Y, Fan T, Luo Y. First-principles study on the mechanism of photocatalytic reduction of nitrobenzene on the rutile TiO(110) surface. Physical Chemistry Chemical Physics : Pccp. PMID 31848529 DOI: 10.1039/C9Cp05010H |
0.312 |
|
2019 |
Tan S, Feng H, Zheng Q, Cui X, Zhao J, Luo Y, Yang J, Wang B, Hou JG. Interfacial hydrogen-bonding dynamics in surface-facilitated dehydrogenation of water on TiO(110). Journal of the American Chemical Society. PMID 31842546 DOI: 10.1021/Jacs.9B09132 |
0.478 |
|
2019 |
Wang T, Su X, Zhang X, Nie X, Huang L, Zhang X, Sun X, Luo Y, Zhang G. Aggregation-Induced Dual-Phosphorescence from Organic Molecules for Nondoped Light-Emitting Diodes. Advanced Materials (Deerfield Beach, Fla.). e1904273. PMID 31693248 DOI: 10.1002/Adma.201904273 |
0.318 |
|
2019 |
Zhong W, Zhang G, Zhang Y, Jia C, Yang T, Ji S, Prezhdo OV, Yuan J, Luo Y, Jiang J. Enhanced Activity of CN-Supported Single Co Atom Catalyst by Single Atom Promoter. The Journal of Physical Chemistry Letters. PMID 31660736 DOI: 10.1021/Acs.Jpclett.9B02906 |
0.447 |
|
2019 |
Hua W, Mukamel S, Luo Y. Transient X-ray Absorption Spectral Fingerprints of the S Dark State in Uracil. The Journal of Physical Chemistry Letters. PMID 31625754 DOI: 10.1021/Acs.Jpclett.9B02692 |
0.483 |
|
2019 |
Yang T, Huang Y, Yang L, Li X, Wang X, Zhang G, Luo Y, Jiang J. Correction to "Protecting Single Atom Catalysts with Graphene/Carbon-Nitride "Chainmail". The Journal of Physical Chemistry Letters. 6088. PMID 31566970 DOI: 10.1021/Acs.Jpclett.9B02718 |
0.555 |
|
2019 |
Hu W, Ye S, Zhang Y, Li T, Zhang G, Luo Y, Mukamel S, Jiang J. Machine Learning Protocol for Surface Enhanced Raman Spectroscopy. The Journal of Physical Chemistry Letters. PMID 31538788 DOI: 10.1021/Acs.Jpclett.9B02517 |
0.529 |
|
2019 |
Duan S, Rinkevicius Z, Tian G, Luo Y. Optomagnetic Effect Induced by Magnetized Nanocavity Plasmon. Journal of the American Chemical Society. PMID 31429565 DOI: 10.1021/Jacs.9B07817 |
0.301 |
|
2019 |
Yang L, Nian S, Zhang G, Sharman E, Miao H, Zhang X, Chen X, Luo Y, Jiang J. Role of Hydrogen Bonding in Green Fluorescent Protein-like Chromophore Emission. Scientific Reports. 9: 11640. PMID 31406231 DOI: 10.1038/S41598-019-47660-0 |
0.384 |
|
2019 |
Li H, Wang Z, Jiang J, Luo Y. Competition between dispersion interactions and conventional hydrogen bonding: insights from a theoretical study on Z-Arg-OH. Physical Chemistry Chemical Physics : Pccp. PMID 31380529 DOI: 10.1039/C9Cp03130H |
0.425 |
|
2019 |
Luo Y, Chen G, Zhang Y, Zhang L, Yu Y, Kong F, Tian X, Zhang Y, Shan C, Luo Y, Yang J, Sandoghdar V, Dong Z, Hou JG. Electrically Driven Single-Photon Superradiance from Molecular Chains in a Plasmonic Nanocavity. Physical Review Letters. 122: 233901. PMID 31298910 DOI: 10.1103/Physrevlett.122.233901 |
0.482 |
|
2019 |
Yang L, Li X, Huang Y, Feng S, Wang X, Jiang X, Li X, Zhao J, Luo Y, Zhang G, Jiang J. Physically Close yet Chemically Separate Reduction and Oxidation Sites in Double-Walled Nanotubes for Photocatalytic Hydrogen Generation. The Journal of Physical Chemistry Letters. 3739-3743. PMID 31244274 DOI: 10.1021/Acs.Jpclett.9B01722 |
0.563 |
|
2019 |
Ye S, Hu W, Li X, Zhang J, Zhong K, Zhang G, Luo Y, Mukamel S, Jiang J. A neural network protocol for electronic excitations of -methylacetamide. Proceedings of the National Academy of Sciences of the United States of America. PMID 31147467 DOI: 10.1073/Pnas.1821044116 |
0.522 |
|
2019 |
Yang T, Huang Y, Yang L, Li X, Wang X, Zhang G, Luo Y, Jiang J. Protecting Single Atom Catalysts with Graphene/Carbon-Nitride "Chainmail". The Journal of Physical Chemistry Letters. PMID 31117691 DOI: 10.1021/Acs.Jpclett.9B01336 |
0.586 |
|
2019 |
Hu W, Sun L, Hua W, Liu Y, Tian G, Chen M, Chen M, Yang F, Wang S, Zhang X, Luo Y, Dong H. Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet-Triplet Energy Gap via Charge Transfer. Angewandte Chemie (International Ed. in English). PMID 31095839 DOI: 10.1002/Anie.201904427 |
0.324 |
|
2019 |
Ding H, Liu M, Pan N, Dong Y, Lin Y, Li T, Zhao J, Luo Z, Luo Y, Wang X. Lattice Disorder-Engineered Energy Splitting between Bright and Dark Excitons in CsPbBr Quantum Wires. The Journal of Physical Chemistry Letters. PMID 30841698 DOI: 10.1021/Acs.Jpclett.9B00551 |
0.301 |
|
2019 |
Jia C, Wang X, Zhong W, Wang Z, Prezhdo OV, Luo Y, Jiang J. Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au-Cu Bimetallic Clusters on TiO2(101). Acs Applied Materials & Interfaces. PMID 30741519 DOI: 10.1021/Acsami.9B00925 |
0.557 |
|
2019 |
Li H, Han J, Zhao H, Liu X, Luo Y, Shi Y, Liu C, Jin M, Ding D. Lighting Up Invisible Twisted Intramolecular Charge Transfer State by High Pressure. The Journal of Physical Chemistry Letters. PMID 30704239 DOI: 10.1021/Acs.Jpclett.9B00026 |
0.317 |
|
2019 |
Zhang N, Lin J, Hu W, Zhang S, Liang L, Wang R, Luo X, Luo Y, Qiu X, Zhang J, Tong L. Bifacial Raman Enhancement on Monolayer Two-dimensional Materials. Nano Letters. PMID 30676030 DOI: 10.1021/Acs.Nanolett.8B04433 |
0.32 |
|
2019 |
Li X, Duan S, Liu H, Chen G, Luo Y, Ågren H. On the Mechanism for the Extremely Efficient Sensitization of Yb3+ Luminescence in CsPbCl3 Nanocrystals. The Journal of Physical Chemistry Letters. PMID 30642182 DOI: 10.1021/Acs.Jpclett.8B03406 |
0.455 |
|
2019 |
Jiang H, He Q, Li X, Su X, Zhang Y, Chen S, Zhang S, Zhang G, Jiang J, Luo Y, Ajayan PM, Song L. Tracking Structural Self-Reconstruction and Identifying True Active Sites toward Cobalt Oxychloride Precatalyst of Oxygen Evolution Reaction. Advanced Materials (Deerfield Beach, Fla.). e1805127. PMID 30633404 DOI: 10.1002/Adma.201805127 |
0.41 |
|
2019 |
Luo Y, gren H, Gel'mukhanov F, Guo J, Skytt P, Wassdahl N, Nordgren J. Symmetry-selective resonant inelastic x-ray scattering of C60. Physical Review. B, Condensed Matter. 52: 14479-14496. PMID 9980778 DOI: 10.1103/Physrevb.52.14479 |
0.341 |
|
2019 |
Luo Y, gren H, Guo J, Skytt P, Wassdahl N, Nordgren J. Sub-electron-volt chemical shifts and strong interference effects measured in the resonance x-ray scattering spectra of aniline. Physical Review. a, Atomic, Molecular, and Optical Physics. 52: 3730-3736. PMID 9912678 DOI: 10.1103/Physreva.52.3730 |
0.306 |
|
2019 |
Zhang Y, Yang B, Ghafoor A, Zhang Y, Zhang Y, Wang R, Yang J, Luo Y, Dong Z, Hou JG. Visually constructing the chemical structure of a single molecule by scanning Raman picoscopy National Science Review. 6: 1169-1175. DOI: 10.1093/Nsr/Nwz180 |
0.45 |
|
2019 |
Tang S, Zhou X, Liu T, Zhang S, Yang T, Luo Y, Sharman E, Jiang J. Single nickel atom supported on hybridized graphene–boron nitride nanosheet as a highly active bi-functional electrocatalyst for hydrogen and oxygen evolution reactions Journal of Materials Chemistry. 7: 26261-26265. DOI: 10.1039/C9Ta10500J |
0.453 |
|
2019 |
Li X, Eshete M, Li X, Xie T, Zhang G, Xie L, Jia C, Luo Y, Jiang J. A novel energy-dependent p-semiconductor–metal–n-semiconductor heterojunction for selectively steering charge flow in a Z-scheme photocatalyst Journal of Materials Chemistry. 7: 15036-15041. DOI: 10.1039/C9Ta03482J |
0.401 |
|
2019 |
Huang Y, Yang T, Yang L, Liu R, Zhang G, Jiang J, Luo Y, Lian P, Tang S. Graphene–boron nitride hybrid-supported single Mo atom electrocatalysts for efficient nitrogen reduction reaction Journal of Materials Chemistry. 7: 15173-15180. DOI: 10.1039/C9Ta02947H |
0.467 |
|
2019 |
Wang X, Jiang X, Sharman E, Yang L, Li X, Zhang G, Zhao J, Luo Y, Jiang J. Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot/carbon-nitride hybrid Journal of Materials Chemistry A. 7: 6143-6148. DOI: 10.1039/C9Ta00673G |
0.539 |
|
2019 |
Liu D, Li X, Chen S, Yan H, Wang C, Wu C, Haleem YA, Duan S, Lu J, Ge B, Ajayan PM, Luo Y, Jiang J, Song L. Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution Nature Energy. 4: 512-518. DOI: 10.1038/S41560-019-0402-6 |
0.422 |
|
2019 |
Hu W, Cao X, Zhang Y, Li T, Jiang J, Luo Y. Tunable Single-Photon Emission by Defective Boron-Nitride Nanotubes for High-Precision Force Detection The Journal of Physical Chemistry C. 123: 9624-9628. DOI: 10.1021/Acs.Jpcc.9B01651 |
0.402 |
|
2019 |
Xie Z, Duan S, Wang C, Luo Y. Monitoring Hydrogen/Deuterium Tautomerization in Transient Isomers of Single Porphine by Highly Localized Plasmonic Field The Journal of Physical Chemistry C. 123: 11081-11093. DOI: 10.1021/Acs.Jpcc.9B00398 |
0.334 |
|
2019 |
Ma Y, Lin J, Song X, Wang C, Hua W, Luo Y. Local structures of nitrogen-doped graphdiynes determined by computational X-ray spectroscopy Carbon. 149: 672-678. DOI: 10.1016/J.Carbon.2019.04.045 |
0.334 |
|
2019 |
Wang X, Zhang G, Wang Z, Yang L, Li X, Jiang J, Luo Y. Metal-enhanced hydrogenation of graphene with atomic pattern Carbon. 143: 700-705. DOI: 10.1016/J.Carbon.2018.11.080 |
0.567 |
|
2019 |
Feng C, Sharman E, Ye S, Luo Y, Jiang J. A neural network protocol for predicting molecular bond energy Science China-Chemistry. 62: 1698-1703. DOI: 10.1007/S11426-019-9619-8 |
0.415 |
|
2018 |
Zhao G, Dong H, Liao Q, Jiang J, Luo Y, Fu H, Hu W. Author Correction: Organic field-effect optical waveguides. Nature Communications. 9: 5418. PMID 30560941 DOI: 10.1038/S41467-018-07909-0 |
0.328 |
|
2018 |
Tang S, Zhou XH, Zhang SY, Li XK, Yang T, Hu W, Jiang J, Luo Y. Metal-Free Boron-Nitride Nanoribbon Catalysts for Electrochemical CO2 Reduction: Combining High Activity and Selectivity. Acs Applied Materials & Interfaces. PMID 30525373 DOI: 10.1021/Acsami.8B18505 |
0.414 |
|
2018 |
Zhao G, Dong H, Liao Q, Jiang J, Luo Y, Fu H, Hu W. Organic field-effect optical waveguides. Nature Communications. 9: 4790. PMID 30442889 DOI: 10.1038/S41467-018-07269-9 |
0.353 |
|
2018 |
Huang L, Chen B, Zhang X, Trindle CO, Liao F, Wang Y, Miao H, Luo Y, Zhang G. Proton-Activated "Off-On" Room-Temperature Phosphorescence from Purely Organic Thioethers. Angewandte Chemie (International Ed. in English). PMID 30334606 DOI: 10.1002/Anie.201808861 |
0.33 |
|
2018 |
Zhang G, Yang L, Wang X, Wu Z, Jiang J, Luo Y. Energy Materials Design for Steering Charge Kinetics. Advanced Materials (Deerfield Beach, Fla.). e1801988. PMID 30206996 DOI: 10.1002/Adma.201801988 |
0.548 |
|
2018 |
Li J, Luo Y, Zhang J. A theoretical study on vibronic spectra and photo conversation process of protonated naphthalenes. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 205: 520-527. PMID 30071500 DOI: 10.1016/J.Saa.2018.07.074 |
0.318 |
|
2018 |
Xie Z, Duan S, Tian G, Wang CK, Luo Y. Theoretical modeling of tip-enhanced resonance Raman images of switchable azobenzene molecules on Au(111). Nanoscale. PMID 29897090 DOI: 10.1039/C8Nr01988F |
0.34 |
|
2018 |
Chen Y, Wang Z, Chen S, Ren H, Wang L, Zhang G, Lu Y, Jiang J, Zou C, Luo Y. Non-catalytic hydrogenation of VOin acid solution. Nature Communications. 9: 818. PMID 29483502 DOI: 10.1038/S41467-018-03292-Y |
0.42 |
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Hu W, Duan S, Zhang Y, Ren H, Jiang J, Luo Y. Identifying the structure of 4-chlorophenyl isocyanide adsorbed on Au(111) and Pt(111) surfaces by first-principles simulations of Raman spectra. Physical Chemistry Chemical Physics : Pccp. 19: 32389-32397. PMID 29185564 DOI: 10.1039/C7Cp06329F |
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Zhang L, Zhang Q, Luo Y. Impact of Element Doping on Photoexcited Electron Dynamics in CdS Nanocrystals. The Journal of Physical Chemistry Letters. PMID 29111740 DOI: 10.1021/Acs.Jpclett.7B02449 |
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Zhang L, Yu YJ, Chen LG, Luo Y, Yang B, Kong FF, Chen G, Zhang Y, Zhang Q, Luo Y, Yang JL, Dong ZC, Hou JG. Electrically driven single-photon emission from an isolated single molecule. Nature Communications. 8: 580. PMID 28924226 DOI: 10.1038/S41467-017-00681-7 |
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Wang T, Wu Z, Sun W, Jin S, Zhang XY, Zhou C, Jiang J, Luo Y, Zhang G. Macroscopic Wires from Fluorophore-Quencher Dyads with Long-Lived Blue Emission. The Journal of Physical Chemistry. A. PMID 28853573 DOI: 10.1021/Acs.Jpca.7B08268 |
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Yang L, Li X, Zhang G, Cui P, Wang X, Jiang X, Zhao J, Luo Y, Jiang J. Combining photocatalytic hydrogen generation and capsule storage in graphene based sandwich structures. Nature Communications. 8: 16049. PMID 28681839 DOI: 10.1038/Ncomms16049 |
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Wang Z, Li X, Zhang G, Luo Y, Jiang J. Suppressing Electron-Phonon Coupling through Laser-Induced Phase Transition. Acs Applied Materials & Interfaces. PMID 28677384 DOI: 10.1021/Acsami.7B05480 |
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Li H, Jiang J, Luo Y. Identification of the protonation site of gaseous triglycine: the cis-peptide bond conformation as the global minimum. Physical Chemistry Chemical Physics : Pccp. PMID 28555233 DOI: 10.1039/C7Cp01997A |
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Sun W, Wang Z, Wang T, Yang L, Jiang J, Zhang XY, Luo Y, Zhang G. Protonation-Induced Room-Temperature Phosphorescence in Fluorescent Polyurethane. The Journal of Physical Chemistry. A. PMID 28528553 DOI: 10.1021/Acs.Jpca.7B01711 |
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Jiao X, Chen Z, Li X, Sun Y, Gao S, Yan W, Wang C, Zhang Q, Lin Y, Luo Y, Xie Y. Defect-Mediated Electron-Hole Separation in One-unit-cell ZnIn2S4 Layers for Boosted Solar-Driven CO2 Reduction. Journal of the American Chemical Society. PMID 28514178 DOI: 10.1021/Jacs.7B02290 |
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Song C, Li L, Duan S, Luo Y, Tian G. Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 183: 339-347. PMID 28458239 DOI: 10.1016/J.Saa.2017.04.024 |
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Jiang S, Chen L, Yu X, Zheng H, Lin K, Zhang Q, Wang X, Luo Y. Surface Plasmon Assisted Directional Rayleigh Scattering Chinese Journal of Chemical Physics. 30: 135-138. DOI: 10.1063/1674-0068/30/Cjcp1611204 |
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Hu W, Duan S, Luo Y. Theoretical modeling of surface and tip-enhanced Raman spectroscopies Wiley Interdisciplinary Reviews: Computational Molecular Science. 7. DOI: 10.1002/Wcms.1293 |
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Hua W, Bennett K, Zhang Y, Luo Y, Mukamel S. Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation. Chemical Science. 7: 5922-5933. PMID 30034734 DOI: 10.1039/C6Sc01571A |
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Song XN, Wang GW, Ma Y, Jiang SZ, Yue WW, Wang CK, Luo Y. Theoretical Identification of Three C66 Fullerene Isomers and Related Chlorinated Derivatives by X-ray Photoelectron Spectroscopy and Near-edge X-ray Absorption Fine Structure Spectroscopy. The Journal of Physical Chemistry. A. PMID 27936705 DOI: 10.1021/Acs.Jpca.6B09805 |
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Liu L, Li XF, Yan Q, Li QK, Zhang XH, Deng M, Qiu Q, Luo Y. Uniform and perfectly linear current-voltage characteristics of nitrogen-doped armchair graphene nanoribbons for nanowires. Physical Chemistry Chemical Physics : Pccp. PMID 27918024 DOI: 10.1039/C6Cp06640B |
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Ren H, Zhang G, Lin N, Deng L, Luo Y, Huang F. Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions. Physical Chemistry Chemical Physics : Pccp. 18: 26586-26594. PMID 27711392 DOI: 10.1039/C6Cp03141B |
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Xing L, Lin K, Zhou X, Liu S, Luo Y. Multi-State Mechanism of Lysozyme Denaturation Through the Synchronous Analysis of Raman Spectra. The Journal of Physical Chemistry. B. PMID 27653791 DOI: 10.1021/Acs.Jpcb.6B07900 |
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Chen X, Xu C, Wang T, Zhou C, Du J, Wang Z, Xu H, Xie T, Bi G, Jiang J, Zhang X, Demas JN, Trindle CO, Luo Y, Zhang G. Versatile Room-Temperature-Phosphorescent Materials Prepared from N-Substituted Naphthalimides: Emission Enhancement and Chemical Conjugation. Angewandte Chemie (International Ed. in English). PMID 27385550 DOI: 10.1002/Anie.201601252 |
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Xie T, Yang L, Sun X, Jiang J, Zhang X, Luo Y, Zhang G. UV gelation of single-component polyacrylates bearing dinitrobenzoate side groups. Chemical Communications (Cambridge, England). PMID 27373563 DOI: 10.1039/C6Cc04070E |
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Huang H, Zhang L, Lv Z, Long R, Zhang C, Lin Y, Wei K, Wang C, Chen L, Li ZY, Zhang Q, Luo Y, Xiong Y. Unraveling Surface Plasmon Decay in Core-Shell Nanostructures towards Broadband Light-Driven Catalytic Organic Synthesis. Journal of the American Chemical Society. PMID 27175744 DOI: 10.1021/Jacs.6B02532 |
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Gong ZY, Duan S, Tian G, Zhang G, Jiang J, Luo Y. Optical Excitation in Donor-Pt-Acceptor Complexes: Role of the Structure. The Journal of Physical Chemistry. A. PMID 27135840 DOI: 10.1021/Acs.Jpca.6B03072 |
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Zhang Y, Luo Y, Zhang Y, Yu YJ, Kuang YM, Zhang L, Meng QS, Luo Y, Yang JL, Dong ZC, Hou JG. Visualizing coherent intermolecular dipole-dipole coupling in real space. Nature. 531: 623-7. PMID 27029277 DOI: 10.1038/Nature17428 |
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Li XF, Lian KY, Liu L, Wu Y, Qiu Q, Jiang J, Deng M, Luo Y. Unraveling the formation mechanism of graphitic nitrogen-doping in thermally treated graphene with ammonia. Scientific Reports. 6: 23495. PMID 27002190 DOI: 10.1038/Srep23495 |
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Du H, Sun X, Liu X, Wu X, Wang J, Tian M, Zhao A, Luo Y, Yang J, Wang B, Hou JG. Surface Landau levels and spin states in bismuth (111) ultrathin films. Nature Communications. 7: 10814. PMID 26964494 DOI: 10.1038/Ncomms10814 |
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Huang J, Shang Q, Huang Y, Tang F, Zhang Q, Liu Q, Jiang S, Hu F, Liu W, Luo Y, Yao T, Jiang Y, Pan Z, Sun Z, Wei S. Oxyhydroxide Nanosheets with Highly Efficient Electron-Hole Pair Separation for Hydrogen Evolution. Angewandte Chemie (International Ed. in English). PMID 26732536 DOI: 10.1002/Anie.201510642 |
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Bi W, Zhang L, Sun Z, Li X, Jin T, Wu X, Zhang Q, Luo Y, Wu C, Xie Y. Insight into Electrocatalysts as Co-catalysts in Efficient Photocatalytic Hydrogen Evolution Acs Catalysis. 6: 4253-4257. DOI: 10.1021/Acscatal.6B00913 |
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Wang G, Ma Y, Song X, Jiang S, Yue W, Wang C, Luo Y. Theoretical Isomer Identification of Three C56 Fullerenes and Their Chlorinated Derivatives by XPS and NEXAFS Spectra Journal of Physical Chemistry C. 120: 13779-13786. DOI: 10.1021/Acs.Jpcc.6B01776 |
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Ji Y, Luo Y. Structure-dependent photocatalytic decomposition of formic acid on the anatase TiO2(101) surface and strategies to increase its reaction rate Journal of Power Sources. 306: 208-212. DOI: 10.1016/J.Jpowsour.2015.12.002 |
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Gong ZY, Tian G, Duan S, Luo Y. Significant Contributions of the Albrecht's A Term to Nonresonant Raman Scattering Processes. Journal of Chemical Theory and Computation. 11: 5385-90. PMID 26574328 DOI: 10.1021/Acs.Jctc.5B00761 |
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Bora DK, Cheng X, Kapilashrami M, Glans PA, Luo Y, Guo JH. Influence of crystal structure, ligand environment and morphology on Co L-edge XAS spectral characteristics in cobalt compounds. Journal of Synchrotron Radiation. 22: 1450-8. PMID 26524310 DOI: 10.1107/S1600577515017178 |
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Xu HQ, Hu J, Wang D, Li Z, Zhang Q, Luo Y, Yu SH, Jiang HL. Visible-Light Photoreduction of CO2 in A Metal-Organic Framework: Boosting Electron-Hole Separation via Electron Trap States. Journal of the American Chemical Society. PMID 26434687 DOI: 10.1021/Jacs.5B08773 |
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Wang XD, Xuan CJ, Luo Y, Tian SX. Note: Coherent resonances observed in the dissociative electron attachment to carbon monoxide. The Journal of Chemical Physics. 143: 066101. PMID 26277168 DOI: 10.1063/1.4928639 |
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Tian G, Duan S, Zhang GP, Hu W, Luo Y. The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime. Physical Chemistry Chemical Physics : Pccp. 17: 23007-16. PMID 26272223 DOI: 10.1039/C5Cp02736E |
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Li H, Li L, Jiang J, Lin Z, Luo Y. Theoretical spectroscopic studies on chemical and electronic structures of arginylglycine. Physical Chemistry Chemical Physics : Pccp. PMID 26266331 DOI: 10.1039/C5Cp03729H |
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Jiang S, Zhang Y, Zhang R, Hu C, Liao M, Luo Y, Yang J, Dong Z, Hou JG. Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering. Nature Nanotechnology. PMID 26214250 DOI: 10.1038/Nnano.2015.170 |
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Duan S, Tian G, Ji Y, Shao J, Dong Z, Luo Y. Theoretical Modeling of Plasmon-Enhanced Raman Images of a Single Molecule with Subnanometer Resolution. Journal of the American Chemical Society. 137: 9515-8. PMID 26186284 DOI: 10.1021/Jacs.5B03741 |
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Lei F, Zhang L, Sun Y, Liang L, Liu K, Xu J, Zhang Q, Pan B, Luo Y, Xie Y. Atomic-Layer-Confined Doping for Atomic-Level Insights into Visible-Light Water Splitting. Angewandte Chemie (International Ed. in English). PMID 26111265 DOI: 10.1002/Anie.201503410 |
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Wu B, Hu J, Cui P, Jiang L, Chen Z, Zhang Q, Wang C, Luo Y. Visible-Light Photoexcited Electron Dynamics of Scandium Endohedral Metallofullerenes: The Cage Symmetry and Substituent Effects. Journal of the American Chemical Society. 137: 8769-74. PMID 26097975 DOI: 10.1021/Jacs.5B03612 |
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Chen L, Zhu W, Lin K, Hu N, Yu Y, Zhou X, Yuan LF, Hu SM, Luo Y. Identification of alcohol conformers by Raman spectra in the C-H stretching region. The Journal of Physical Chemistry. A. 119: 3209-17. PMID 25774682 DOI: 10.1021/Jp513027R |
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Hu W, Zhang GP, Duan S, Fu Q, Luo Y. Molecular design to enhance the thermal stability of a photo switchable molecular junction based on dimethyldihydropyrene and cyclophanediene isomerization Journal of Physical Chemistry C. 119: 11468-11474. DOI: 10.1021/Acs.Jpcc.5B02201 |
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Hu W, Tian G, Duan S, Lin LL, Ma Y, Luo Y. Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions Chemical Physics. 453: 20-25. DOI: 10.1016/J.Chemphys.2015.03.009 |
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Chen PA, Xu ZH, Huang YL, Luo Y, Zhu DJ, Wang P, Du ZY, Yang Y, Wu DH, Lai WY, Ren H, Xu DL. Increased serum 2-oxoglutarate associated with high myocardial energy expenditure and poor prognosis in chronic heart failure patients. Biochimica Et Biophysica Acta. 1842: 2120-5. PMID 25078469 DOI: 10.1016/j.bbadis.2014.07.018 |
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Ma C, Sun H, Zhao Y, Li B, Li Q, Zhao A, Wang X, Luo Y, Yang J, Wang B, Hou JG. Evidence of van Hove singularities in ordered grain boundaries of graphene. Physical Review Letters. 112: 226802. PMID 24949783 DOI: 10.1103/Physrevlett.112.226802 |
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Deng Y, Gao B, Deng M, Luo Y. A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives. The Journal of Chemical Physics. 140: 124304. PMID 24697438 DOI: 10.1063/1.4868717 |
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Ségerie A, Lin LL, Liégeois V, Luo Y, Champagne B. Effects of the basis set and of the exchange-correlation functional on the Inelastic Electron Tunneling signatures of 1,4-benzenedithiol. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 34-41. PMID 23831045 DOI: 10.1016/J.Saa.2013.05.025 |
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Cao X, Ji Y, Hu W, Duan S, Luo Y. Feasible Catalytic Strategy for Writing Conductive Nanoribbons on a Single-Layer Graphene Fluoride Journal of Physical Chemistry C. 118: 22643-22648. DOI: 10.1021/Jp507469R |
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Cao X, Luo Y. Study of the Electronic and Optical Properties of Hybrid Triangular (BN)xCy Foams Journal of Physical Chemistry C. 118: 22181-22187. DOI: 10.1021/Jp507330J |
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Ji Y, Wang B, Luo Y. A Comparative Theoretical Study of Proton-Coupled Hole Transfer for H2O and Small Organic Molecules (CH3OH, HCOOH, H2CO) on the Anatase TiO2(101) Surface Journal of Physical Chemistry C. 118: 21457-21462. DOI: 10.1021/Jp505854T |
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Ji Y, Luo Y. First-Principles Study on the Mechanism of Photoselective Catalytic Reduction of NO by NH3 on Anatase TiO2(101) Surface Journal of Physical Chemistry C. 118: 6359-6364. DOI: 10.1021/Jp501427K |
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Ji Y, Wang B, Luo Y. GGA+U Study on the Mechanism of Photodecomposition of Water Adsorbed on Rutile TiO2(110) Surface: Free vs Trapped Hole Journal of Physical Chemistry C. 118: 1027-1034. DOI: 10.1021/Jp409605Y |
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Li H, Lin Z, Luo Y. The role of dimerization on the structure transformation of arginine in gas phase Chemical Physics Letters. 608: 398-403. DOI: 10.1016/J.Cplett.2014.06.019 |
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2013 |
Ségerie A, Liégeois V, Champagne B, Lin LL, Luo Y. Theoretical insight into the inelastic electron tunneling spectra of an anil derivative. The Journal of Physical Chemistry. A. 117: 12783-95. PMID 24188159 DOI: 10.1021/Jp408068D |
0.313 |
|
2013 |
Zhang R, Zhang Y, Dong ZC, Jiang S, Zhang C, Chen LG, Zhang L, Liao Y, Aizpurua J, Luo Y, Yang JL, Hou JG. Chemical mapping of a single molecule by plasmon-enhanced Raman scattering. Nature. 498: 82-6. PMID 23739426 DOI: 10.1038/Nature12151 |
0.337 |
|
2013 |
Tian G, Luo Y. Fluorescence and phosphorescence of single C60 molecules as stimulated by a scanning tunneling microscope. Angewandte Chemie. 52: 4814-4817. PMID 23554015 DOI: 10.1002/Anie.201301209 |
0.38 |
|
2013 |
Tian SX, Wu B, Xia L, Wang Y, Li H, Zeng X, Luo Y, Yang J. Publisher's Note: Coherent interference in the resonant dissociative electron attachment to carbon monoxide [Phys. Rev. A88, 012708 (2013)] Physical Review A. 88. DOI: 10.1103/Physreva.88.019903 |
0.412 |
|
2013 |
Lin K, Hu N, Zhou X, Liu S, Luo Y. Quantum Effects on Global Structure of Liquid Water Chinese Journal of Chemical Physics. 26: 127-132. DOI: 10.1063/1674-0068/26/02/127-132 |
0.653 |
|
2013 |
Lin K, Zhou X, Liu S, Luo Y. Identification of Free OH and its Implication on Structural Changes of Liquid Water Chinese Journal of Chemical Physics. 26: 121-127. DOI: 10.1063/1674-0068/26/02/121-126 |
0.657 |
|
2013 |
Fu Q, Luo Y. Catalytic Activity of Single Transition-Metal Atom Doped in Cu(111) Surface for Heterogeneous Hydrogenation Journal of Physical Chemistry C. 117: 14618-14624. DOI: 10.1021/Jp403902G |
0.307 |
|
2013 |
Lin L, Jiang J, Luo Y. Elastic and inelastic electron transport in metal-molecule(s)-metal junctions Physica E-Low-Dimensional Systems & Nanostructures. 47: 167-187. DOI: 10.1016/J.Physe.2012.10.017 |
0.357 |
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2013 |
Mohammed A, Hu W, Andersson PO, Lundquist M, Landström L, Luo Y, Ågren H. Cluster approximations of chemically enhanced molecule-surface Raman spectra: The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold Chemical Physics Letters. 581: 70-73. DOI: 10.1016/J.Cplett.2013.07.005 |
0.443 |
|
2012 |
Gao B, Ruud K, Luo Y. Plasmon resonances in linear noble-metal chains. The Journal of Chemical Physics. 137: 194307. PMID 23181306 DOI: 10.1063/1.4766360 |
0.321 |
|
2012 |
Zhang K, Fu Q, Pan N, Yu X, Liu J, Luo Y, Wang X, Yang J, Hou J. Direct writing of electronic devices on graphene oxide by catalytic scanning probe lithography. Nature Communications. 3: 1194. PMID 23149739 DOI: 10.1038/Ncomms2200 |
0.426 |
|
2012 |
Li H, Hua W, Lin Z, Luo Y. First-principles study on core-level spectroscopy of arginine in gas and solid phases. Journal of Physical Chemistry B. 116: 12641-12650. PMID 23016930 DOI: 10.1021/Jp302309U |
0.337 |
|
2012 |
Ye Q, Zhou J, Zhao T, Zhao H, Chu W, Sheng Z, Chen X, Marcelli A, Luo Y, Wu Z. Identification of 13- and 14-coordinated structures of first hydrated shell of [AuCl4](-) acid aqueous solution by combination of MD and XANES. The Journal of Physical Chemistry. B. 116: 7866-73. PMID 22686423 DOI: 10.1021/Jp3026623 |
0.358 |
|
2012 |
Hua W, Ai YJ, Gao B, Li H, Ågren H, Luo Y. X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study. Physical Chemistry Chemical Physics : Pccp. 14: 9666-75. PMID 22684434 DOI: 10.1039/C2Cp40732A |
0.46 |
|
2012 |
Tan S, Feng H, Ji Y, Wang Y, Zhao J, Zhao A, Wang B, Luo Y, Yang J, Hou JG. Observation of photocatalytic dissociation of water on terminal Ti sites of TiO2(110)-1 × 1 surface. Journal of the American Chemical Society. 134: 9978-85. PMID 22658233 DOI: 10.1021/Ja211919K |
0.455 |
|
2012 |
Chen X, Rinkevicius Z, Luo Y, Ågren H, Cao Z. Theoretical Studies on the Photoinduced Rearrangement Mechanism of α-Santonin Chemphyschem. 13: 353-362. PMID 22120926 DOI: 10.1002/Cphc.201100451 |
0.35 |
|
2012 |
Zhang L, Schwertfager N, Cheiwchanchamnangij T, Lin X, Glans-Suzuki PA, Piper LFJ, Limpijumnong S, Luo Y, Zhu JF, Lambrecht WRL, Guo JH. Electronic band structure of graphene from resonant soft x-ray spectroscopy: The role of core-hole effects Physical Review B. 86: 245430. DOI: 10.1103/Physrevb.86.245430 |
0.331 |
|
2012 |
Li H, Lin Z, Luo Y. Local Structures and Chemical Properties of Deprotonated Arginine Chinese Journal of Chemical Physics. 25: 681-686. DOI: 10.1088/1674-0068/25/06/681-686 |
0.329 |
|
2012 |
Song X, Hua W, Ma Y, Wang C, Luo Y. Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors Journal of Physical Chemistry C. 116: 23938-23944. DOI: 10.1021/Jp307834X |
0.35 |
|
2012 |
Liu J, Cai H, Yu X, Zhang K, Li X, Li J, Pan N, Shi Q, Luo Y, Wang X. Fabrication of Graphene Nanomesh and Improved Chemical Enhancement for Raman Spectroscopy Journal of Physical Chemistry C. 116: 15741-15746. DOI: 10.1021/Jp303265D |
0.326 |
|
2012 |
Song X, Ma Y, Wang C, Dietrich PM, Unger WES, Luo Y. Effects of Protonation, Hydrogen Bonding, and Photodamaging on X-ray Spectroscopy of the Amine Terminal Group in Aminothiolate Monolayers Journal of Physical Chemistry C. 116: 12649-12654. DOI: 10.1021/Jp302716W |
0.314 |
|
2012 |
Ji Y, Wang B, Luo Y. Location of Trapped Hole on Rutile-TiO2(110) Surface and Its Role in Water Oxidation Journal of Physical Chemistry C. 116: 7863-7866. DOI: 10.1021/Jp300753F |
0.324 |
|
2012 |
Lin L, Geng H, Shuai Z, Luo Y. Theoretical insights into the charge transport in perylene diimides based n-type organic semiconductors Organic Electronics. 13: 2763-2772. DOI: 10.1016/J.Orgel.2012.08.001 |
0.307 |
|
2012 |
Chen X, Tian G, Rinkevicius Z, Vahtras O, Cao Z, Ågren H, Luo Y. Spectral character of intermediate state in solid-state photoarrangement of alpha-santonin Chemical Physics. 405: 40-45. DOI: 10.1016/J.Chemphys.2012.06.004 |
0.403 |
|
2012 |
Yu X, Lin K, Qiu K, Cai H, Li X, Liu J, Pan N, Fu S, Luo Y, Wang X. Increased chemical enhancement of Raman spectra for molecules adsorbed on fluorinated reduced graphene oxide Carbon. 50: 4512-4517. DOI: 10.1016/J.Carbon.2012.05.033 |
0.464 |
|
2012 |
Gao B, Lin Y, Wei S, Zeng J, Liao Y, Chen L, Goldfeld D, Wang X, Luo Y, Dong Z, Hou J. Charge transfer and retention in directly coupled Au-CdSe nanohybrids Nano Research. 5: 88-98. DOI: 10.1007/S12274-011-0188-8 |
0.313 |
|
2011 |
Duan S, Xu X, Luo Y, Tian ZQ. Molecular polarization bridging physical and chemical enhancements in surface enhanced Raman scattering. Chemical Communications (Cambridge, England). 47: 11438-40. PMID 21935542 DOI: 10.1039/C1Cc14962H |
0.34 |
|
2011 |
Chen X, Rinkevicius Z, Luo Y, Ågren H, Cao Z. Role of the 3(ππ*) state in photolysis of lumisantonin: insight from ab initio studies. The Journal of Physical Chemistry. A. 115: 7815-22. PMID 21627307 DOI: 10.1021/Jp203369B |
0.44 |
|
2011 |
Zhang IY, Wu J, Luo Y, Xu X. Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional. Journal of Computational Chemistry. 32: 1824-38. PMID 21455960 DOI: 10.1002/Jcc.21764 |
0.301 |
|
2011 |
Zhang Q, Lin K, Luo Y. Laser-launched evanescent surface plasmon polariton field utilized as a direct coherent pumping source to generate emitted nonlinear four-wave mixing radiation. Optics Express. 19: 4991-5001. PMID 21445135 DOI: 10.1364/Oe.19.004991 |
0.436 |
|
2011 |
Lin L, Wang C, Luo Y. Inelastic electron tunneling spectroscopy of gold-benzenedithiol-gold junctions: accurate determination of molecular conformation. Acs Nano. 5: 2257-2263. PMID 21309567 DOI: 10.1021/Nn103522K |
0.36 |
|
2011 |
Yu X, Cai H, Zhang W, Li X, Pan N, Luo Y, Wang X, Hou JG. Tuning chemical enhancement of SERS by controlling the chemical reduction of graphene oxide nanosheets. Acs Nano. 5: 952-8. PMID 21210657 DOI: 10.1021/Nn102291J |
0.335 |
|
2011 |
Zhao K, Luo Y. Effects of coexisting isomers on two-photon absorption of organic molecules in solutions. The Journal of Physical Chemistry. B. 114: 13167-72. PMID 20873861 DOI: 10.1021/Jp103527Q |
0.388 |
|
2011 |
Hua W, Gao B, Li S, Agren H, Luo Y. Refinement of DNA structures through near-edge X-ray absorption fine structure analysis: applications on guanine and cytosine nucleobases, nucleosides, and nucleotides. The Journal of Physical Chemistry. B. 114: 13214-22. PMID 20873844 DOI: 10.1021/Jp1034745 |
0.467 |
|
2011 |
Tian G, Luo Y. Electroluminescence of molecules in a scanning tunneling microscope: Role of tunneling electrons and surface plasmons Physical Review B. 84: 205419. DOI: 10.1103/Physrevb.84.205419 |
0.384 |
|
2011 |
Tan S, Zhao Y, Zhao J, Wang Z, Ma C, Zhao A, Wang B, Luo Y, Yang J, Hou J. CO 2 dissociation activated through electron attachment on the reduced rutile TiO 2 (110)-1×1 surface Physical Review B. 84: 155418. DOI: 10.1103/Physrevb.84.155418 |
0.459 |
|
2011 |
Li X, Ren H, Luo Y. Electronic structure of bismuth telluride quasi-two-dimensional crystal: A first principles study Applied Physics Letters. 98: 83113. DOI: 10.1063/1.3556654 |
0.481 |
|
2011 |
Li XF, Wang LL, Chen KQ, Luo Y. Tuning the electronic transport properties of zigzag graphene nanoribbons via hydrogenation separators Journal of Physical Chemistry C. 115: 24366-24372. DOI: 10.1021/Jp208892H |
0.339 |
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2011 |
Lin L, Zou B, Wang C, Luo Y. Assignments of Inelastic Electron Tunneling Spectra of Semifluorinated Alkanethiol Molecular Junctions Journal of Physical Chemistry C. 115: 20301-20306. DOI: 10.1021/Jp206085U |
0.366 |
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2011 |
Li XF, Wang LL, Chen KQ, Luo Y. Design of graphene-nanoribbon heterojunctions from first principles Journal of Physical Chemistry C. 115: 12616-12624. DOI: 10.1021/Jp202188T |
0.328 |
|
2011 |
Fu Q, Yang J, Luo Y. A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt(111) Surface The Journal of Physical Chemistry C. 115: 6864-6869. DOI: 10.1021/Jp200687T |
0.469 |
|
2011 |
Ai Y, Cui G, Fang Q, Fang W, Luo Y. Exploring concerted effects of base pairing and stacking on the excited-state nature of DNA oligonucleotides by DFT and TD-DFT studies International Journal of Quantum Chemistry. 111: 2366-2377. DOI: 10.1002/Qua.22524 |
0.301 |
|
2011 |
Lin K, Hu N, Zhou X, Liu S, Luo Y. Reorientation dynamics in liquid alcohols from Raman spectroscopy Journal of Raman Spectroscopy. 43: 82-88. DOI: 10.1002/Jrs.2997 |
0.65 |
|
2010 |
Lin LL, Song XN, Luo Y, Wang CK. Formation and electronic transport properties of bimolecular junctions based on aromatic coupling. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 325102. PMID 21386484 DOI: 10.1088/0953-8984/22/32/325102 |
0.32 |
|
2010 |
Fu Q, Luo Y, Yang J, Hou J. Understanding the concept of randomness in inelastic electron tunneling excitations. Physical Chemistry Chemical Physics : Pccp. 12: 12012-23. PMID 20714472 DOI: 10.1039/B926310A |
0.493 |
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2010 |
Ren H, Yang J, Luo Y. Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra. The Journal of Chemical Physics. 133: 064702. PMID 20707581 DOI: 10.1063/1.3474807 |
0.562 |
|
2010 |
Ai YJ, Zhang F, Cui GL, Luo Y, Fang WH. Ultrafast deactivation processes in the 2-aminopyridine dimer and the adenine-thymine base pair: similarities and differences. The Journal of Chemical Physics. 133: 064302. PMID 20707565 DOI: 10.1063/1.3464485 |
0.328 |
|
2010 |
Zhao K, Liu PW, Wang CK, Luo Y. Effects of structural fluctuations on two-photon absorption activity of interacting dipolar chromophores. The Journal of Physical Chemistry. B. 114: 10814-20. PMID 20681556 DOI: 10.1021/Jp103791S |
0.358 |
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2010 |
Fu Q, Yang J, Luo Y. First-principles calculations of adsorption and dehydrogenation of trans-2-butene molecule on Pd(110) surface. The Journal of Chemical Physics. 131: 154703. PMID 20568876 DOI: 10.1063/1.3234419 |
0.445 |
|
2010 |
Hua W, Yamane H, Gao B, Jiang J, Li S, Kato HS, Kawai M, Hatsui T, Luo Y, Kosugi N, Agren H. Systematic study of soft X-ray spectra of poly(Dg).poly(Dc) and poly(Da).poly(Dt) DNA duplexes. The Journal of Physical Chemistry. B. 114: 7016-21. PMID 20438067 DOI: 10.1021/Jp911199E |
0.465 |
|
2010 |
Lin K, Zhou X, Luo Y, Liu S. The microscopic structure of liquid methanol from Raman spectroscopy. The Journal of Physical Chemistry. B. 114: 3567-73. PMID 20178325 DOI: 10.1021/Jp9121968 |
0.651 |
|
2010 |
Zhang W, Carravetta V, Li Z, Luo Y, Yang J. Oxidation states of graphene: insights from computational spectroscopy. The Journal of Chemical Physics. 131: 244505. PMID 20059077 DOI: 10.1063/1.3276339 |
0.458 |
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2010 |
Hua W, Gao B, Li S, Ågren H, Luo Y. X-ray absorption spectra of graphene from first-principles simulations Physical Review B. 82. DOI: 10.1103/Physrevb.82.155433 |
0.464 |
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2010 |
Jiang J, Sun L, Gao B, Wu Z, Lu W, Yang J, Luo Y. Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters Journal of Applied Physics. 108: 094303. DOI: 10.1063/1.3503365 |
0.44 |
|
2010 |
Jiang J, Gao B, Hu ZP, Lu W, Wu ZY, Yang JL, Luo Y. Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy Applied Physics Letters. 96: 253110. DOI: 10.1063/1.3455905 |
0.345 |
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2010 |
Duan S, Wu D, Xu X, Luo Y, Tian Z. Structures of Water Molecules Adsorbed on a Gold Electrode under Negative Potentials Journal of Physical Chemistry C. 114: 4051-4056. DOI: 10.1021/Jp911072G |
0.323 |
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2010 |
Jiang J, Smith JR, Luo Y, Grennberg H, Ottosson H. Multidecker Bis(benzene)chromium: Opportunities for Design of Rigid and Highly Flexible Molecular Wires The Journal of Physical Chemistry C. 115: 785-790. DOI: 10.1021/Jp109782Q |
0.328 |
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2010 |
Zhou J, Li H, Zhang L, Cheng J, Zhao H, Chu W, Yang J, Luo Y, Wu Z. Tuning Magnetism in Transition-Metal-Doped 3C Silicon Carbide Polytype The Journal of Physical Chemistry C. 115: 253-256. DOI: 10.1021/Jp105121Y |
0.426 |
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2010 |
Li XF, Chen KQ, Wang L, Luo Y. Effects of interface roughness on electronic transport properties of nanotube-molecule-nanotube junctions Journal of Physical Chemistry C. 114: 12335-12340. DOI: 10.1021/Jp102945V |
0.344 |
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2010 |
Lin L, Song X, Leng J, Li Z, Luo Y, Wang C. Determination of the Configuration of a Single Molecule Junction by Inelastic Electron Tunneling Spectroscopy Journal of Physical Chemistry C. 114: 5199-5202. DOI: 10.1021/Jp101428D |
0.364 |
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2010 |
Li X, Ren H, Wang L, Cheng K, Yang J, Luo Y. Important Structural Factors Controlling the Conductance of DNA Pairs in Molecular Junctions The Journal of Physical Chemistry C. 114: 14240-14242. DOI: 10.1021/Jp100798G |
0.561 |
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2010 |
Guo JH, Kastanov S, Söderström J, Glans PA, West M, Learmonth T, Chiou JW, Luo Y, Nordgren J, Smith K, Pong WF, Cheng H, Griffiss JM. Electronic structure study of the bases in DNA duplexes by in situ photon-in/photon-out soft X-ray spectroscopy Journal of Electron Spectroscopy and Related Phenomena. 181: 197-201. DOI: 10.1016/J.Elspec.2010.05.014 |
0.34 |
|
2010 |
Cao H, Ma J, Luo Y. Field effects on the statistical behavior of the molecular conductance in a single molecular junction in aqueous solution Nano Research. 3: 350-355. DOI: 10.1007/S12274-010-1038-9 |
0.313 |
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2009 |
Fang Q, Zhang F, Shen L, Fang WH, Luo Y. Photodissociation of phosgene: Theoretical evidence for the ultrafast and synchronous concerted three-body process. The Journal of Chemical Physics. 131: 164306. PMID 19894946 DOI: 10.1063/1.3253048 |
0.325 |
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2009 |
Pan S, Fu Q, Huang T, Zhao A, Wang B, Luo Y, Yang J, Hou J. Design and control of electron transport properties of single molecules. Proceedings of the National Academy of Sciences of the United States of America. 106: 15259-63. PMID 19706435 DOI: 10.1073/Pnas.0903131106 |
0.476 |
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2009 |
Gao B, Wu Z, Agren H, Luo Y. Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes. The Journal of Chemical Physics. 131: 034704. PMID 19624218 DOI: 10.1063/1.3181809 |
0.452 |
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2009 |
Zhao K, Tu Y, Luo Y. Molecular dynamics and quantum chemistry study on conformations and optical properties of hydrogen bonded dipolar merocyanine dyes. The Journal of Physical Chemistry. B. 113: 10271-6. PMID 19572672 DOI: 10.1021/Jp900864B |
0.348 |
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2009 |
Zhao Y, Wang Z, Cui X, Huang T, Wang B, Luo Y, Yang J, Hou J. What are the adsorption sites for CO on the reduced TiO2(110)-1 x 1 surface? Journal of the American Chemical Society. 131: 7958-9. PMID 19456126 DOI: 10.1021/Ja902259K |
0.444 |
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2009 |
Jha PC, Luo Y, Polyzos I, Persephonis P, Agren H. Two- and three-photon absorption of organic ionic pyrylium based materials. The Journal of Chemical Physics. 130: 174312. PMID 19425781 DOI: 10.1063/1.3123742 |
0.469 |
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2009 |
Li Z, Zhang W, Luo Y, Yang J, Hou JG. How graphene is cut upon oxidation? Journal of the American Chemical Society. 131: 6320-1. PMID 19374352 DOI: 10.1021/Ja8094729 |
0.41 |
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2009 |
Ren H, Yang J, Luo Y. Simulation of inelastic electronic tunneling spectra of adsorbates from first principles. The Journal of Chemical Physics. 130: 134707. PMID 19355764 DOI: 10.1063/1.3106235 |
0.579 |
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2009 |
Lin N, Santoro F, Rizzo A, Luo Y, Zhao X, Barone V. Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone. The Journal of Physical Chemistry. A. 113: 4198-207. PMID 19253990 DOI: 10.1021/Jp8105925 |
0.358 |
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2009 |
Zhang W, Gao B, Yang J, Wu Z, Carravetta V, Luo Y. Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces. The Journal of Chemical Physics. 130: 054705. PMID 19206987 DOI: 10.1063/1.3072334 |
0.494 |
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2009 |
Zhang W, Li Z, Luo Y, Yang J. A first-principles study of NO adsorption and oxidation on Au(111) surface. The Journal of Chemical Physics. 129: 134708. PMID 19045117 DOI: 10.1063/1.2985668 |
0.432 |
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2009 |
Holtmann J, Walczuk E, Dede M, Wittenburg C, Heck J, Archetti G, Wortmann R, Kuball HG, Wang YH, Liu K, Luo Y. Three-branched dendritic dipolar nonlinear optical chromophores, more than three times a single-strand chromophore? The Journal of Physical Chemistry. B. 112: 14751-61. PMID 18973370 DOI: 10.1021/Jp802369C |
0.313 |
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2009 |
Li XF, Wang L, Chen KQ, Luo Y. Nanomechanically induced molecular conductance switch Applied Physics Letters. 95. DOI: 10.1063/1.3273867 |
0.304 |
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2009 |
Fu Q, Yang J, Luo Y. Mechanism for tautomerization induced conductance switching of naphthalocyanin molecule Applied Physics Letters. 95: 182103. DOI: 10.1063/1.3224186 |
0.454 |
|
2009 |
Ren H, Li Q, Luo Y, Yang J. Graphene nanoribbon as a negative differential resistance device Applied Physics Letters. 94: 173110. DOI: 10.1063/1.3126451 |
0.556 |
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2009 |
Lin L, Leng J, Song X, Li Z, Luo Y, Wang C. Effect of Aromatic Coupling on Electronic Transport in Bimolecular Junctions Journal of Physical Chemistry C. 113: 14474-14477. DOI: 10.1021/Jp900908W |
0.334 |
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2009 |
Zhang W, Li Z, Luo Y, Yang J. First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface The Journal of Physical Chemistry C. 113: 8302-8305. DOI: 10.1021/Jp810751J |
0.443 |
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2009 |
Zhong J, Song L, Meng J, Gao B, Chu W, Xu H, Luo Y, Guo J, Marcelli A, Xie S, Wu Z. Bio–nano interaction of proteins adsorbed on single-walled carbon nanotubes Carbon. 47: 967-973. DOI: 10.1016/J.Carbon.2008.11.051 |
0.307 |
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2009 |
Fu Q, Yuan L, Luo Y, Yang J. Exploring at nanoscale from first principles Frontiers of Physics in China. 4: 256-268. DOI: 10.1007/S11467-009-0057-Z |
0.453 |
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2009 |
Gao B, Jiang J, Luo Y. Simulation of electronic structure of nanomaterials by central insertion scheme Frontiers of Physics in China. 4: 307-314. DOI: 10.1007/S11467-009-0025-7 |
0.331 |
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2009 |
Zhang W, Li Z, Luo Y, Yang J. Density functional study on mechanism of CO oxidation with activated water on O/Au (111) surface Science Bulletin. 54: 1973-1977. DOI: 10.1007/S11434-009-0057-Y |
0.432 |
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2008 |
Jiang J, Kula M, Luo Y. Molecular modeling of inelastic electron transport in molecular junctions. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 374110. PMID 21694417 DOI: 10.1088/0953-8984/20/37/374110 |
0.447 |
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2008 |
Zhang W, Yang J, Luo Y, Monti S, Carravetta V. Quantum molecular dynamics study of water on TiO2(110) surface. The Journal of Chemical Physics. 129: 064703. PMID 18715098 DOI: 10.1063/1.2955452 |
0.466 |
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2008 |
Gao B, Wu Z, Luo Y. A density functional theory study of shake-up satellites in photoemission of carbon fullerenes and nanotubes. The Journal of Chemical Physics. 128: 234704. PMID 18570516 DOI: 10.1063/1.2943676 |
0.334 |
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2008 |
Cao H, Jiang J, Ma J, Luo Y. Temperature-Dependent Statistical Behavior of Single Molecular Conductance in Aqueous Solution Journal of the American Chemical Society. 130: 6674-6675. PMID 18454531 DOI: 10.1021/Ja8007648 |
0.437 |
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2008 |
Lin N, Ferrighi L, Zhao X, Ruud K, Rizzo A, Luo Y. Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule. The Journal of Physical Chemistry. B. 112: 4703-10. PMID 18355067 DOI: 10.1021/Jp7107522 |
0.349 |
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2008 |
Liu K, Wang Y, Tu Y, Ågren H, Luo Y. Two-Photon Absorption of Hydrogen-Bonded Octupolar Molecule Clusters Journal of Physical Chemistry B. 112: 4387-4392. PMID 18345663 DOI: 10.1021/Jp712118W |
0.433 |
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2008 |
Gao B, Jiang J, Wu Z, Luo Y. Energy gaps, electronic structures, and x-ray spectroscopies of finite semiconductor single-walled carbon nanotubes. The Journal of Chemical Physics. 128: 084707. PMID 18315072 DOI: 10.1063/1.2839294 |
0.433 |
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2008 |
Kula M, Luo Y. Effects of intermolecular interaction on inelastic electron tunneling spectra. The Journal of Chemical Physics. 128: 064705. PMID 18282065 DOI: 10.1063/1.2832304 |
0.344 |
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2008 |
Gao B, Liu L, Wang C, Wu Z, Luo Y. Spectral identification of fullerene C82 isomers. The Journal of Chemical Physics. 127: 164314. PMID 17979345 DOI: 10.1063/1.2800028 |
0.342 |
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2008 |
Gao B, Jiang J, Liu K, Wu Z, Lu W, Luo Y. An efficient first-principle approach for electronic structures calculations of nanomaterials. Journal of Computational Chemistry. 29: 434-44. PMID 17631651 DOI: 10.1002/Jcc.20799 |
0.42 |
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2008 |
Kula M, Jiang J, Luo Y. A Molecular View on Electron Transport in Molecular Electronic Devices Journal of Computational and Theoretical Nanoscience. 5: 401-421. DOI: 10.1166/Jctn.2008.2484 |
0.303 |
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2008 |
Carlegrim E, Gao B, Kanciurzewska A, de Jong MP, Wu Z, Luo Y, Fahlman M. Near-edge x-ray absorption studies of Na-doped tetracyanoethylene films: A model system for theV(TCNE)xroom-temperature molecular magnet Physical Review B. 77. DOI: 10.1103/Physrevb.77.054420 |
0.33 |
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2008 |
Ning Y, Jiang J, Shi Z, Fu Q, Liu J, Luo Y, Tang BZ, Lin N. Single Molecule’s Conductance Depending On Its Orientation The Journal of Physical Chemistry C. 113: 26-30. DOI: 10.1021/Jp8089215 |
0.327 |
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2008 |
Lin N, Luo Y, Santoro F, Zhao X, Rizzo A. Vibronically-induced change in the chiral response of molecules revealed by electronic circular dichroism spectroscopy Chemical Physics Letters. 464: 144-149. DOI: 10.1016/J.Cplett.2008.09.013 |
0.309 |
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2007 |
Nifosì R, Luo Y. Predictions of novel two-photon absorption bands in fluorescent proteins. The Journal of Physical Chemistry. B. 111: 14043-50. PMID 18027922 DOI: 10.1021/Jp075545V |
0.311 |
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2007 |
Chen L, Hu Z, Zhao A, Wang B, Luo Y, Yang J, Hou JG. Mechanism for negative differential resistance in molecular electronic devices: local orbital symmetry matching. Physical Review Letters. 99: 146803. PMID 17930698 DOI: 10.1103/Physrevlett.99.146803 |
0.465 |
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2007 |
Aziz EF, Gråsjö J, Forsberg J, Andersson E, Söderström J, Duda L, Zhang W, Yang J, Eisebitt S, Bergström C, Luo Y, Nordgren J, Eberhardt W, Rubensson JE. Photoinduced formation of N2 molecules in ammonium compounds. The Journal of Physical Chemistry. A. 111: 9662-9. PMID 17850051 DOI: 10.1021/Jp073620W |
0.305 |
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2007 |
Liu K, Wang Y, Tu Y, Agren H, Luo Y. Aggregation effects on two-photon absorption spectra of octupolar molecules. The Journal of Chemical Physics. 127: 026101. PMID 17640150 DOI: 10.1063/1.2751190 |
0.48 |
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2007 |
Lin N, Zhao X, Rizzo A, Luo Y. Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate. The Journal of Chemical Physics. 126: 244509. PMID 17614566 DOI: 10.1063/1.2745794 |
0.351 |
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2007 |
Nifosì R, Luo Y. Origin of the anomalous two-photon absorption in fluorescent protein DsRed. The Journal of Physical Chemistry. B. 111: 505-7. PMID 17228906 DOI: 10.1021/Jp068380J |
0.324 |
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2007 |
Kula M, Jiang J, Lu W, Luo Y. Effects of hydrogen bonding on current-voltage characteristics of molecular junctions. The Journal of Chemical Physics. 125: 194703. PMID 17129146 DOI: 10.1063/1.2364494 |
0.418 |
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2007 |
Tu Y, Luo Y, Agren H. Can octupolar molecules be poled by an external electric field? The Journal of Physical Chemistry. B. 109: 16730-5. PMID 16853130 DOI: 10.1021/Jp051267T |
0.462 |
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2007 |
Felicíssimo VC, Cesar A, Luo Y, Gel'mukhanov F, Agren H. Probing weak molecular orbital interactions in non-conjugated diene molecules by means of near-edge X-ray absorption spectroscopy. The Journal of Physical Chemistry. A. 109: 7385-95. PMID 16834105 DOI: 10.1021/Jp044757E |
0.485 |
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2007 |
Bondesson L, Mikkelsen KV, Luo Y, Garberg P, Agren H. Hydrogen bonding effects on infrared and Raman spectra of drug molecules. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 66: 213-24. PMID 16829171 DOI: 10.1016/J.Saa.2006.02.045 |
0.474 |
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2007 |
Jiang J, Liu K, Lu W, Luo Y. An elongation method for first principle simulations of electronic structures and electron transport properties of finite nanostructures. The Journal of Chemical Physics. 124: 214711. PMID 16774435 DOI: 10.1063/1.2207137 |
0.416 |
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2007 |
Tu Y, Luo Y, Agren H. Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions. The Journal of Physical Chemistry. B. 110: 8971-7. PMID 16671703 DOI: 10.1021/Jp0603583 |
0.432 |
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2007 |
Rubio-Pons O, Luo Y, Agren H. Effects of conjugation length, electron donor and acceptor strengths on two-photon absorption cross sections of asymmetric zinc-porphyrin derivatives. The Journal of Chemical Physics. 124: 94310. PMID 16526860 DOI: 10.1063/1.2178790 |
0.376 |
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2007 |
Jiang J, Kula M, Luo Y. A generalized quantum chemical approach for elastic and inelastic electron transports in molecular electronics devices. The Journal of Chemical Physics. 124: 034708. PMID 16438601 DOI: 10.1063/1.2159490 |
0.433 |
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2007 |
Brena B, Luo Y. Characterization of the electronic structure of C50Cl10 by means of soft x-ray spectroscopies. The Journal of Chemical Physics. 123: 244305. PMID 16396535 DOI: 10.1063/1.2137317 |
0.359 |
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2007 |
Cronstrand P, Rinkevicius Z, Luo Y, Agren H. Time-dependent density-functional theory calculations of triplet-triplet absorption. The Journal of Chemical Physics. 122: 224104. PMID 15974648 DOI: 10.1063/1.1914772 |
0.463 |
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2007 |
STARIKOV EB, PANAS I, MOCHIZUKI Y, TANAKA S, LUO Y, ÅGREN H. ON MECHANISM OF ENHANCED FLUORESCENCE IN GREEN FLUORESCENT PROTEIN Biophysical Reviews and Letters. 2: 221-227. DOI: 10.1142/S1793048007000568 |
0.413 |
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2007 |
Ouyang S, Yi Y, Geng H, Shuai Z, Luo Y. Quantum Chemical Investigations on Electron Transport Characteristics of Porphyrin and Metal-porphyrin Chemical Research in Chinese Universities. 23: 87-91. DOI: 10.1016/S1005-9040(07)60017-8 |
0.336 |
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2007 |
Zou B, Li Z, Song X, Luo Y, Wang C. Effects of field-induced geometry relaxation on the electron transport properties of 4,4′-biphenyldithiol molecular junction Chemical Physics Letters. 447: 69-73. DOI: 10.1016/J.Cplett.2007.08.076 |
0.328 |
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2007 |
Liu K, Wang Y, Yao J, Luo Y. Origin of the Q-band splitting in the absorption spectra of aluminum phthalocyanine chloride Chemical Physics Letters. 438: 36-40. DOI: 10.1016/J.Cplett.2007.02.048 |
0.322 |
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2006 |
Su W, Jiang J, Lu W, Luo Y. First-principles study of electrochemical gate-controlled conductance in molecular junctions. Nano Letters. 6: 2091-4. PMID 16968031 DOI: 10.1021/Nl061376Z |
0.416 |
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2006 |
Minaev B, Wang YH, Wang CK, Luo Y, Agren H. Density functional theory study of vibronic structure of the first absorption Qx band in free-base porphin. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 65: 308-23. PMID 16920011 DOI: 10.1016/J.Saa.2005.10.047 |
0.457 |
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2006 |
Kula M, Jiang J, Luo Y. Probing molecule-metal bonding in molecular junctions by inelastic electron tunneling spectroscopy. Nano Letters. 6: 1693-8. PMID 16895358 DOI: 10.1021/Nl060951W |
0.427 |
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2006 |
Ahlund J, Nilson K, Schiessling J, Kjeldgaard L, Berner S, Mårtensson N, Puglia C, Brena B, Nyberg M, Luo Y. The electronic structure of iron phthalocyanine probed by photoelectron and x-ray absorption spectroscopies and density functional theory calculations. The Journal of Chemical Physics. 125: 34709. PMID 16863375 DOI: 10.1063/1.2212404 |
0.771 |
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2006 |
Hu W, Jiang J, Nakashima H, Luo Y, Kashimura Y, Chen KQ, Shuai Z, Furukawa K, Lu W, Liu Y, Zhu D, Torimitsu K. Electron transport in self-assembled polymer molecular junctions. Physical Review Letters. 96: 027801. PMID 16486641 DOI: 10.1103/Physrevlett.96.027801 |
0.394 |
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2006 |
Luo Y, Rubio-Pons O, Guo JD, Agren H. Charge-transfer Zn-porphyrin derivatives with very large two-photon absorption cross sections at 1.3-1.5 microm fundamental wavelengths. The Journal of Chemical Physics. 122: 096101. PMID 15836187 DOI: 10.1063/1.1858864 |
0.434 |
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2006 |
O'Shea JN, Swarbrick JC, Nilson K, Puglia C, Brena B, Luo Y, Dhanak VR. Molecular ordering in isonicotinic acid on rutile TiO2(110) investigated with valence band photoemission. The Journal of Chemical Physics. 121: 10203-8. PMID 15549895 DOI: 10.1063/1.1802292 |
0.328 |
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2006 |
Cronstrand P, Norman P, Luo Y, Agren H. Few-states models for three-photon absorption. The Journal of Chemical Physics. 121: 2020-9. PMID 15260755 DOI: 10.1063/1.1767516 |
0.456 |
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2006 |
Yin S, Peng Q, Shuai Z, Fang W, Wang Y, Luo Y. Aggregation-enhanced luminescence and vibronic coupling of silole molecules from first principles Physical Review B. 73: 205409. DOI: 10.1103/Physrevb.73.205409 |
0.348 |
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2006 |
Li Z, Zou B, Wang C, Luo Y. Electronic transport properties of molecular bipyridine junctions: Effects of isomer and contact structures Physical Review B. 73: 75326. DOI: 10.1103/Physrevb.73.075326 |
0.313 |
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2006 |
Fu Y, Han T, Luo Y, Ågren H. Dynamic analysis of multiple-photon optical processes in semiconductor quantum dots Journal of Physics: Condensed Matter. 18: 9071-9082. DOI: 10.1088/0953-8984/18/39/033 |
0.395 |
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2006 |
Åhlund J, Nilson K, Schiessling J, Kjeldgaard L, Berner S, Mårtensson N, Puglia C, Brena B, Nyberg M, Luo Y. The electronic structure of iron phthalocyanine probed by photoelectron and x-ray absorption spectroscopies and density functional theory calculations Journal of Chemical Physics. 125. DOI: 10.1063/1.2212404 |
0.371 |
|
2006 |
Fu Y, Han T, Luo Y, Ågren H. Multiphoton excitation of quantum dots by ultrashort and ultraintense laser pulses Applied Physics Letters. 88: 221114. DOI: 10.1063/1.2209209 |
0.392 |
|
2006 |
Fu Y, Luo Y, Ågren H. Multiple-photon spectrum of CdS semiconductor quantum dot for bioimaging Thin Solid Films. 515: 842-845. DOI: 10.1016/J.Tsf.2005.12.207 |
0.436 |
|
2006 |
Bondesson L, Mikkelsen KV, Luo Y, Garberg P, Ågren H. Density functional theory calculations of hydrogen bonding energies of drug molecules Journal of Molecular Structure: Theochem. 776: 61-68. DOI: 10.1016/J.Theochem.2006.06.042 |
0.431 |
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2006 |
Gao B, Zhong J, Song L, Wu Z, Xie S, Qian H, Dong Y, Luo Y. Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory Radiation Physics and Chemistry. 75: 1939-1942. DOI: 10.1016/J.Radphyschem.2005.07.064 |
0.332 |
|
2006 |
Brena B, Luo Y. Time-dependent DFT calculations of core electron shake-up states of metal-(free)-phthalocyanines Radiation Physics and Chemistry. 75: 1578-1581. DOI: 10.1016/J.Radphyschem.2005.07.017 |
0.344 |
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2005 |
Brena B, Zhuang GV, Augustsson A, Liu G, Nordgren J, Guo JH, Ross PN, Luo Y. Conformation dependence of electronic structures of poly(ethylene oxide). The Journal of Physical Chemistry. B. 109: 7907-14. PMID 16851922 DOI: 10.1021/Jp045685U |
0.335 |
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2005 |
Carniato S, Taïeb R, Kukk E, Luo Y, Brena B. N-K near-edge x-ray-absorption fine structures of acetonitrile in gas phase. The Journal of Chemical Physics. 123: 214301. PMID 16356042 DOI: 10.1063/1.2104327 |
0.346 |
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2005 |
Wang YH, Halik M, Wang CK, Marder SR, Luo Y. Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles. The Journal of Chemical Physics. 123: 194311. PMID 16321092 DOI: 10.1063/1.2121590 |
0.371 |
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2005 |
Jiang J, Kula M, Lu W, Luo Y. First-Principles Simulations of Inelastic Electron Tunneling Spectroscopy of Molecular Electronic Devices Nano Letters. 5: 1551-1555. PMID 16089487 DOI: 10.1021/Nl050789H |
0.437 |
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2005 |
Alfredsson Y, Brena B, Nilson K, Åhlund J, Kjeldgaard L, Nyberg M, Luo Y, Mårtensson N, Sandell A, Puglia C, Siegbahn H. Electronic structure of a vapor-deposited metal-free phthalocyanine thin film Journal of Chemical Physics. 122: 214723-214723. PMID 15974778 DOI: 10.1063/1.1924539 |
0.37 |
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2005 |
Brena B, Carniato S, Luo Y. Functional and basis set dependence of K-edge shake-up spectra of molecules. The Journal of Chemical Physics. 122: 184316. PMID 15918713 DOI: 10.1063/1.1891686 |
0.351 |
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2005 |
Yu G, Yin S, Liu Y, Chen J, Xu X, Sun X, Ma D, Zhan X, Peng Q, Shuai Z, Tang B, Zhu D, Fang W, Luo Y. Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles. Journal of the American Chemical Society. 127: 6335-46. PMID 15853340 DOI: 10.1021/Ja044628B |
0.347 |
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2005 |
Kashtanov S, Augustson A, Rubensson J, Nordgren J, Ågren H, Guo J, Luo Y. Chemical and electronic structures of liquid methanol from x-ray emission spectroscopy and density functional theory Physical Review B. 71. DOI: 10.1103/Physrevb.71.104205 |
0.452 |
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2005 |
Carniato S, Ilakovac V, Gallet JJ, Kukk E, Luo Y. Hybrid density-functional theory calculations of near-edge x-ray absorption fine-structure spectra: Applications on benzonitrile in gas phase Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.022511 |
0.344 |
|
2005 |
Li Z, Wang C, Luo Y, Xue Q. Influence of external voltage on electronic transport properties of molecular junctions: the nonlinear transport behaviour Chinese Physics. 14: 1036-1040. DOI: 10.1088/1009-1963/14/5/032 |
0.324 |
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2005 |
Zhao YS, Yang W, Xiao D, Sheng X, Yang X, Shuai Z, Luo Y, Yao J. Single Crystalline Submicrotubes from Small Organic Molecules Chemistry of Materials. 17: 6430-6435. DOI: 10.1021/Cm051949T |
0.309 |
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2005 |
Cronstrand P, Luo Y, Ågren H. Multi-Photon Absorption of Molecules Advances in Quantum Chemistry. 50: 1-21. DOI: 10.1016/S0065-3276(05)50001-7 |
0.488 |
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2005 |
Hellgren N, Guo J, Luo Y, Såthe C, Agui A, Kashtanov S, Nordgren J, Ågren H, Sundgren J. Electronic structure of carbon nitride thin films studied by X-ray spectroscopy techniques Thin Solid Films. 471: 19-34. DOI: 10.1016/J.Tsf.2004.03.027 |
0.425 |
|
2005 |
Carniato S, Luo Y. Role of differential correlation energy in core ionization of pyrrole and pyridine Journal of Electron Spectroscopy and Related Phenomena. 142: 163-171. DOI: 10.1016/J.Elspec.2004.09.027 |
0.339 |
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2005 |
Jiang J, Lu W, Luo Y. Electronic structures and transportation properties of sub-60 nm long single-walled carbon nanotubes Chemical Physics Letters. 416: 272-276. DOI: 10.1016/J.Cplett.2005.09.075 |
0.333 |
|
2005 |
Su W, Jiang J, Luo Y. Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths Chemical Physics Letters. 412: 406-410. DOI: 10.1016/J.Cplett.2005.07.021 |
0.334 |
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2004 |
Cronstrand P, Jansik B, Jonsson D, Luo Y, Agren H. Density functional response theory calculations of three-photon absorption. The Journal of Chemical Physics. 121: 9239-46. PMID 15538844 DOI: 10.1063/1.1804175 |
0.466 |
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2004 |
Kashtanov S, Augustsson A, Luo Y, Guo J, Såthe C, Rubensson J, Siegbahn H, Nordgren J, Ågren H. Local structures of liquid water studied by x-ray emission spectroscopy Physical Review B. 69. DOI: 10.1103/Physrevb.69.024201 |
0.437 |
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2004 |
Carniato S, Ilakovac V, Gallet JJ, Kukk E, Luo Y. Multidimensional transition-state theory calculations for nuclear dynamics of core-excited molecules Physical Review a - Atomic, Molecular, and Optical Physics. 70: 032510-1-032510-5. DOI: 10.1103/Physreva.70.032510 |
0.323 |
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2004 |
Guo J, Luo Y, Augustsson A, Kashtanov S, Rubensson J, Shuh D, Zhuang V, Ross P, Ågren H, Nordgren J. The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy Journal of Electron Spectroscopy and Related Phenomena. 137: 425-428. DOI: 10.1016/J.Elspec.2004.02.094 |
0.433 |
|
2004 |
Birgerson J, Keil M, Luo Y, Svensson S, Ågren H, Salaneck W. A study of the electronic structure of ethylenedioxythiophene in gas phase using NEXAFS and quantum chemical calculations Chemical Physics Letters. 392: 100-104. DOI: 10.1016/J.Cplett.2004.05.054 |
0.439 |
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2003 |
Guo JH, Luo Y, Augustsson A, Kashtanov S, Rubensson JE, Shuh DK, Agren H, Nordgren J. Molecular structure of alcohol-water mixtures. Physical Review Letters. 91: 157401. PMID 14611492 DOI: 10.1103/Physrevlett.91.157401 |
0.438 |
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2003 |
Wang CK, Luo Y. Current-voltage characteristics of single molecular junction: Dimensionality of metal contacts Journal of Chemical Physics. 119: 4923-4928. DOI: 10.1063/1.1597197 |
0.303 |
|
2003 |
Wang C, Wang Y, Su Y, Luo Y. Solvent dependence of solvatochromic shifts and the first hyperpolarizability of para-nitroaniline: A nonmonotonic behavior Journal of Chemical Physics. 119: 4409-4412. DOI: 10.1063/1.1594181 |
0.338 |
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2003 |
Wang C, Zhao K, Su Y, Ren Y, Zhao X, Luo Y. Solvent effects on the electronic structure of a newly synthesized two-photon polymerization initiator Journal of Chemical Physics. 119: 1208-1213. DOI: 10.1063/1.1579680 |
0.353 |
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2003 |
Guo J, Wang C, Luo Y, Ågren H. Influence of electron-acceptor strength on the resonant two-photon absorption cross sections of diphenylaminofluorene-based chromophores Phys. Chem. Chem. Phys.. 5: 3869-3873. DOI: 10.1039/B307732B |
0.451 |
|
2003 |
Guo J, Luo Y, Himo F. DNA Repair by Spore Photoproduct Lyase: A Density Functional Theory Study The Journal of Physical Chemistry B. 107: 11188-11192. DOI: 10.1021/Jp034280R |
0.309 |
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2003 |
Cronstrand P, Luo Y, Norman P, Ågren H. Ab initio calculations of three-photon absorption Chemical Physics Letters. 375: 233-239. DOI: 10.1016/S0009-2614(03)00826-1 |
0.475 |
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2003 |
Sałek P, Vahtras O, Guo J, Luo Y, Helgaker T, Ågren H. Calculations of two-photon absorption cross sections by means of density-functional theory Chemical Physics Letters. 374: 446-452. DOI: 10.1016/S0009-2614(03)00681-X |
0.455 |
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2003 |
Kashtanov S, Rubio-Pons O, Luo Y, Ågren H, Stafström S, Csillag S. Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy Chemical Physics Letters. 371: 98-104. DOI: 10.1016/S0009-2614(03)00176-3 |
0.444 |
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2003 |
Luo Y, Wang C, Fu Y. Electronic transport properties of single molecular junctions based on five-membered heteraromatic molecules Chemical Physics Letters. 369: 299-304. DOI: 10.1016/S0009-2614(02)02018-3 |
0.341 |
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2002 |
Guo JH, Luo Y, Augustsson A, Rubensson JE, Såthe C, Agren H, Siegbahn H, Nordgren J. X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water. Physical Review Letters. 89: 137402. PMID 12225062 DOI: 10.1103/Physrevlett.89.137402 |
0.464 |
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2002 |
Gel'mukhanov F, Baev A, Macák P, Luo Y, Ågren H. Dynamics of two-photon absorption by molecules and solutions Journal of the Optical Society of America B. 19: 937. DOI: 10.1364/Josab.19.000937 |
0.452 |
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2002 |
Carniato S, Dufour G, Luo Y, Ågren H. Ab initio study of the Cu 2p and 3s core-level XPS spectra of copper phthalocyanine Physical Review B. 66: 45105. DOI: 10.1103/Physrevb.66.045105 |
0.466 |
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2002 |
Bassan A, Nyberg M, Luo Y. Identifying isomers of C-78 by means of x-ray spectroscopy Physical Review B. 65: 165402. DOI: 10.1103/Physrevb.65.165402 |
0.325 |
|
2002 |
Myneni S, Luo Y, Näslund LA, Cavalleri M, Ojamäe L, Ogasawara H, Pelmenschikov A, Wernet P, Väterlein P, Heske C, Hussain Z, Pettersson LGM, Nilsson A. Spectroscopic probing of local hydrogen-bonding structures in liquid water Journal of Physics Condensed Matter. 14: L213-L219. DOI: 10.1088/0953-8984/14/8/106 |
0.346 |
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2002 |
Cronstrand P, Luo Y, Ågren H. Effects of dipole alignment and channel interference on two-photon absorption cross sections of two-dimensional charge-transfer systems The Journal of Chemical Physics. 117: 11102-11106. DOI: 10.1063/1.1522408 |
0.431 |
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2002 |
Luo Y, Wang C, Fu Y. Effects of chemical and physical modifications on the electronic transport properties of molecular junctions Journal of Chemical Physics. 117: 10283-10290. DOI: 10.1063/1.1518962 |
0.352 |
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2002 |
Baev A, Gel’mukhanov F, Macák P, Luo Y, Ågren H. General theory for pulse propagation in two-photon active media The Journal of Chemical Physics. 117: 6214-6220. DOI: 10.1063/1.1499719 |
0.429 |
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2002 |
Jansik B, Schimmelpfennig B, Norman P, Mochizuki Y, Luo Y, Ågren H. Size, Order, and Dimensional Relations for Silicon Cluster Polarizabilities The Journal of Physical Chemistry A. 106: 395-399. DOI: 10.1021/Jp012654F |
0.431 |
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2002 |
Cronstrand P, Luo Y, Ågren H. Erratum to: Generalized few-state models for two-photon absorption of conjugated molecules [Chem. Phys. Lett. 352 (2002) 262–269] Chemical Physics Letters. 363: 198. DOI: 10.1016/S0009-2614(02)01111-9 |
0.454 |
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2002 |
Cronstrand P, Luo Y, Ågren H. Generalized few-state models for two-photon absorption of conjugated molecules Chemical Physics Letters. 352: 262-269. DOI: 10.1016/S0009-2614(01)01454-3 |
0.452 |
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2001 |
Pettersson LGM, Nilsson A, Myneni S, Luo Y, Nyberg M, Cavalleri M, Ojamäe L, Näslund LA, Ogasawara H, Odelius M, Pelmenschikov A. Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: An integrated theory and experimental effort Journal of Synchrotron Radiation. 8: 136-140. PMID 11512711 DOI: 10.1107/S0909049500020355 |
0.351 |
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2001 |
Carniato S, Luo Y, Ågren H. Theoretical study of the near-edge Cu L x-ray absorption spectrum of copper phthalocyanine Physical Review B. 63: 85105. DOI: 10.1103/Physrevb.63.085105 |
0.43 |
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2001 |
Hellgren N, Guo J, Såthe C, Agui A, Nordgren J, Luo Y, Ågren H, Sundgren J. Nitrogen bonding structure in carbon nitride thin films studied by soft x-ray spectroscopy Applied Physics Letters. 79: 4348-4350. DOI: 10.1063/1.1428108 |
0.454 |
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2001 |
Wang C, Macak P, Luo Y, Ågren H. Effects of π centers and symmetry on two-photon absorption cross sections of organic chromophores The Journal of Chemical Physics. 114: 9813-9820. DOI: 10.1063/1.1371258 |
0.456 |
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2001 |
Munn RW, Luo Y, Macák P, Ågren H. Role of the cavity field in nonlinear optical response in the condensed phase The Journal of Chemical Physics. 114: 3105-3108. DOI: 10.1063/1.1343082 |
0.389 |
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2001 |
Wang CK, Fu Y, Luo Y. A quantum chemistry approach for current-voltage characterization of molecular junctions Physical Chemistry Chemical Physics. 3: 5017-5023. DOI: 10.1039/B105279A |
0.337 |
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2001 |
O'Shea JN, Schnadt J, Brühwiler PA, Hillesheimer H, Mårtensson N, Patthey L, Krempasky J, Wang C, Luo Y, Ågren H. Hydrogen-bond induced surface core-level shift in isonicotinic acid Journal of Physical Chemistry B. 105: 1917-1920. DOI: 10.1021/Jp003675X |
0.444 |
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2001 |
Gel'mukhanov F, Baev A, Luo Y, Ågren H. Resonant X-ray Raman scattering from dense gases and solutions Chemical Physics Letters. 346: 437-442. DOI: 10.1016/S0009-2614(01)00930-7 |
0.43 |
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2001 |
Luo Y, Ågren H, Keil M, Friedlein R, Salaneck W. A theoretical investigation of the near-edge X-ray absorption spectrum of hexa-peri-hexabenzocoronene Chemical Physics Letters. 337: 176-180. DOI: 10.1016/S0009-2614(01)00181-6 |
0.477 |
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2000 |
Luo Y, Norman P, Macak P, Ågren H. Nonlinear optical susceptibilities of fullerenes in the condensed phase Physical Review B. 61: 3060-3066. DOI: 10.1103/Physrevb.61.3060 |
0.386 |
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2000 |
Macak P, Norman P, Luo Y, Ågren H. Modeling of dynamic molecular solvent properties using local and cavity field approaches The Journal of Chemical Physics. 112: 1868-1875. DOI: 10.1063/1.480750 |
0.397 |
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2000 |
Macak P, Luo Y, Norman P, Ågren H. Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures The Journal of Chemical Physics. 113: 7055-7061. DOI: 10.1063/1.1313559 |
0.481 |
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2000 |
Luo Y, Norman P, Macak P, Ågren H. Solvent-Induced Two-Photon Absorption of a Push−Pull Molecule† The Journal of Physical Chemistry A. 104: 4718-4722. DOI: 10.1021/Jp993803L |
0.436 |
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2000 |
Triguero L, Föhlisch A, Väterlein P, Hasselström J, Weinelt M, Pettersson LGM, Luo Y, Ågren H, Nilsson A. Direct Experimental Measurement of Donation/Back-Donation in Unsaturated Hydrocarbon Bonding to Metals Journal of the American Chemical Society. 122: 12310-12316. DOI: 10.1021/Ja0016710 |
0.481 |
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2000 |
Macak P, Luo Y, Ågren H. Simulations of vibronic profiles in two-photon absorption Chemical Physics Letters. 330: 447-456. DOI: 10.1016/S0009-2614(00)01096-4 |
0.431 |
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1999 |
Nyberg M, Luo Y, Triguero L, Pettersson LGM, Ågren H. Core-hole effects in x-ray-absorption spectra of fullerenes Physical Review B. 60: 7956-7960. DOI: 10.1103/Physrevb.60.7956 |
0.433 |
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1999 |
Triguero L, Luo Y, Pettersson LGM, Ågren H, Väterlein P, Weinelt M, Föhlisch A, Hasselström J, Karis O, Nilsson A. Resonant soft-x-ray emission spectroscopy of surface adsorbates: Theory, computations, and measurements of ethylene and benzene on Cu(110) Physical Review B. 59: 5189-5200. DOI: 10.1103/Physrevb.59.5189 |
0.422 |
|
1999 |
Luo Y, Norman P, Macak P, Ågren H. Solvent effects on the polarizabilities and hyperpolarizabilities of conjugated polymers The Journal of Chemical Physics. 111: 9853-9858. DOI: 10.1063/1.480321 |
0.405 |
|
1999 |
Norman P, Luo Y, Ågren H. Large two-photon absorption cross sections in two-dimensional, charge-transfer, cumulene-containing aromatic molecules The Journal of Chemical Physics. 111: 7758-7765. DOI: 10.1063/1.480111 |
0.463 |
|
1999 |
Norman P, Macak P, Luo Y, Ågren H. Vibrational contributions to solute molecular properties obtained through a semiclassical model employing ellipsoidal cavities The Journal of Chemical Physics. 110: 7960-7965. DOI: 10.1063/1.478700 |
0.435 |
|
1999 |
Magnuson M, Yang L, Guo J, Såthe C, Agui A, Nordgren J, Luo Y, Ågren H, Johansson N, Salaneck W, Horsburgh L, Monkman A. Resonant inelastic soft X-ray scattering spectra at the nitrogen and carbon K-edges of poly(pyridine-2,5-diyl) Journal of Electron Spectroscopy and Related Phenomena. 101: 573-578. DOI: 10.1016/S0368-2048(98)00354-5 |
0.458 |
|
1999 |
Norman P, Luo Y, Ågren H. Two-photon absorption in five-membered heteroaromatic oligomers Optics Communications. 168: 297-303. DOI: 10.1016/S0030-4018(99)00250-3 |
0.456 |
|
1999 |
Luo Y, Norman P, Ågren H. Nonlinear optical processes of spiroconjugated dimers Chemical Physics Letters. 303: 616-620. DOI: 10.1016/S0009-2614(99)00267-5 |
0.414 |
|
1998 |
Luo Y, Norman P, Ågren H, Sylvester-Hvid KO, Mikkelsen KV. Dielectric and optical properties of pure liquids by means ofab initioreaction field theory Physical Review E. 57: 4778-4785. DOI: 10.1103/Physreve.57.4778 |
0.405 |
|
1998 |
Jonsson D, Norman P, Ågren H, Luo Y, Sylvester-Hvid KO, Mikkelsen KV. Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline The Journal of Chemical Physics. 109: 6351-6357. DOI: 10.1063/1.477277 |
0.446 |
|
1998 |
Luo Y, Norman P, Ågren H. A semiclassical approximation model for properties of molecules in solution The Journal of Chemical Physics. 109: 3589-3595. DOI: 10.1063/1.476955 |
0.41 |
|
1998 |
Norman P, Luo Y, Ågren H. Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids: Calculations on methanol The Journal of Chemical Physics. 109: 3580-3588. DOI: 10.1063/1.476954 |
0.441 |
|
1998 |
Guo JH, Magnuson M, Såthe C, Nordgren J, Yang L, Luo Y, Ågren H, Xing KZ, Johansson N, Salaneck WR, Daik R, Feast WJ. Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s Journal of Chemical Physics. 108: 5990-5996. DOI: 10.1063/1.476011 |
0.424 |
|
1998 |
Norman P, Luo Y, Jonsson D, Ågren H. Response to “Comment on ‘The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models’ ” [J. Chem. Phys. 108, 4355 (1998)] The Journal of Chemical Physics. 108: 4358-4360. DOI: 10.1063/1.475846 |
0.406 |
|
1998 |
Luo Y, Ruud K, Norman P, Jonsson D, Ågren H. Saturation of the Optical Band Gap and Properties of Five-Membered Heteroaromatic Oligomers The Journal of Physical Chemistry B. 102: 1710-1712. DOI: 10.1021/Jp9806056 |
0.422 |
|
1998 |
Luo Y, Norman P, Ågren H. Onsager Reaction Field Description of Optical Properties of Octupolar Molecules in Solution Journal of the American Chemical Society. 120: 11188-11189. DOI: 10.1021/Ja981601H |
0.407 |
|
1998 |
Luo Y, Lindgren M, Ågren H. Nonlinear optical properties of multi-dimensional charge transfer functional groups in molecules designed for liquid crystals Optical Materials. 9: 216-219. DOI: 10.1016/S0925-3467(97)00080-3 |
0.437 |
|
1998 |
Magnuson M, Yang L, Guo JH, Sathe C, Agui A, Nordgren J, Luo Y, Angstromgren H, Johansson N, Salaneck WR, Horsburgh LE, Monkman AP. The electronic structure of poly(pyridine-2,5-diyl) investigated by soft X-ray absorption and emission spectroscopies Journal of Chemical Physics. 237. DOI: 10.1016/S0301-0104(98)00262-6 |
0.325 |
|
1998 |
Pettersson L, Ågren H, Luo Y, Triguero L. Benzene adsorbed on Cu(110): theoretical X-ray absorption, emission and shake calculations Surface Science. 408: 1-20. DOI: 10.1016/S0039-6028(98)00085-5 |
0.475 |
|
1998 |
Norman P, Luo Y, Ågren H. Structure-to-property relations for two-photon absorption of hydrocarbon oligomers Chemical Physics Letters. 296: 8-18. DOI: 10.1016/S0009-2614(98)01008-2 |
0.467 |
|
1998 |
Jonsson D, Luo Y, Ruud K, Norman P, Ågren H. Calculations of circular intensity differences in electric-field-induced second harmonic generation Chemical Physics Letters. 288: 371-376. DOI: 10.1016/S0009-2614(98)00301-7 |
0.432 |
|
1998 |
Luo Y, Norman P, Ruud K, Ågren H. Molecular length dependence of optical properties of hydrocarbon oligomers Chemical Physics Letters. 285: 160-163. DOI: 10.1016/S0009-2614(98)00026-8 |
0.416 |
|
1997 |
Luo Y, Vahtras O, Gel'mukhanov F, ̊Agren H. Theory of natural circular dichroism in x-ray Raman scattering from molecules Physical Review A. 55: 2716-2722. DOI: 10.1103/Physreva.55.2716 |
0.434 |
|
1997 |
Skytt P, Glans P, Gunnelin K, Guo J, Nordgren J, Luo Y, Ågren H. Role of screening and angular distributions in resonant x-ray emission of CO Physical Review A. 55: 134-145. DOI: 10.1103/Physreva.55.134 |
0.431 |
|
1997 |
Cesar A, Gel’mukhanov F, Luo Y, Ågren H, Skytt P, Glans P, Guo J, Gunnelin K, Nordgren J. Erratum: “Resonant x-ray scattering beyond the Born–Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide” [J. Chem. Phys. 106, 3439 (1997)] Journal of Chemical Physics. 107: 2699-2699. DOI: 10.1063/1.475329 |
0.42 |
|
1997 |
Norman P, Luo Y, Ågren H. Acetonitrile: A critical test case for solvent induced hyperpolarizabilities obtained by the reaction field model The Journal of Chemical Physics. 107: 9535-9541. DOI: 10.1063/1.475250 |
0.405 |
|
1997 |
Norman P, Luo Y, Jonsson D, Ågren H, Sylvester-Hvid KO, Mikkelsen KV. Hyperpolarizability depolarization ratios of nitroanilines The Journal of Chemical Physics. 107: 9063-9066. DOI: 10.1063/1.475196 |
0.408 |
|
1997 |
Cesar A, Gel’mukhanov F, Luo Y, Ågren H, Skytt P, Glans P, Guo J, Gunnelin K, Nordgren J. Resonant x-ray scattering beyond the Born–Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide The Journal of Chemical Physics. 106: 3439-3456. DOI: 10.1063/1.474111 |
0.478 |
|
1997 |
Norman P, Luo Y, Jonsson D, Ågren H. Ab initio calculations of the polarizability and the hyperpolarizability of C60 The Journal of Chemical Physics. 106: 8788-8791. DOI: 10.1063/1.473961 |
0.408 |
|
1997 |
Norman P, Luo Y, Jonsson D, Ågren H. The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models The Journal of Chemical Physics. 106: 1827-1835. DOI: 10.1063/1.473338 |
0.423 |
|
1997 |
Agren H, Pettersson LG, Carravetta V, Luo Y, Yang L, Vahtras O. Self-Consistent Field Calculations of X-Ray Emission Spectra of Surface Adsorbates and Polymers Le Journal De Physique Iv. 7: C2-515-C2-516. DOI: 10.1051/Jp4/1997076 |
0.445 |
|
1997 |
Yu HZ, Shao HB, Luo Y, Zhang HL, Liu ZF. Evaluation of the Tunneling Constant for Long Range Electron Transfer in Azobenzene Self-Assembled Monolayers on Gold Langmuir. 13: 5774-5778. DOI: 10.1021/La970102B |
0.321 |
|
1997 |
Luo Y, Ågren H, Mikkelsen KV. Unique determination of the cavity radius in Onsager reaction field theory Chemical Physics Letters. 275: 145-150. DOI: 10.1016/S0009-2614(97)00731-8 |
0.419 |
|
1997 |
Ågren H, Luo Y, Gel’mukhanov FK. Simulations of resonant X-ray emission spectra of molecules Applied Physics A. 65: 115-122. DOI: 10.1007/S003390050552 |
0.491 |
|
1996 |
Luo Y, Ågren H, Gel’mukhanov F. Polarization anisotropy in resonant x-ray emission from molecules Physical Review A. 53: 1340-1348. PMID 9913023 DOI: 10.1103/Physreva.53.1340 |
0.426 |
|
1996 |
Luo Y, Norman P, Jonsson D, Agren H. Ground and excited state hyperpolarizabilities of cis trans and diphenyl polyenes Molecular Physics. 89: 1409-1421. DOI: 10.1080/002689796173264 |
0.415 |
|
1996 |
Jonsson D, Norman P, Luo Y, Ågren H. Response theory for static and dynamic polarizabilities of excited states The Journal of Chemical Physics. 105: 581-587. DOI: 10.1063/1.471911 |
0.437 |
|
1996 |
Ågren H, Luo Y, Gelmukhanov F, Jensen HJA. Screening in resonant X-ray emission of molecules Journal of Electron Spectroscopy and Related Phenomena. 82: 125-134. DOI: 10.1016/S0368-2048(96)03041-1 |
0.447 |
|
1996 |
Luo Y, Cesar A, Ågren H. The hyperpolarizability of the tricyanomethanide molecular ion in solution (Chem. Phys. Letters 252 (1996) 389) Chemical Physics Letters. 257: 681. DOI: 10.1016/0009-2614(96)00631-8 |
0.368 |
|
1996 |
Luo Y, Cesar A, Ågren H. The hyperpolarizability of the tricyanomethanide molecular ion in solution Chemical Physics Letters. 252: 389-397. DOI: 10.1016/0009-2614(96)00167-4 |
0.42 |
|
1995 |
Mikkelsen KV, Luo Y, Ågren H, Jo/rgensen P. Sign change of hyperpolarizabilities of solvated water The Journal of Chemical Physics. 102: 9362-9367. DOI: 10.1063/1.468803 |
0.421 |
|
1995 |
Luo Y, Ågren H, Jørgensen P, Mikkelsen KV. Response Theory and Calculations of Molecular Hyperpolarizabilities Advances in Quantum Chemistry. 26: 165-237. DOI: 10.1016/S0065-3276(08)60113-6 |
0.428 |
|
1995 |
Ågren H, Luo Y, Gel'mukhanov F, Guo J, Skytt P, Wassdahl N, Nordgren J. Symmetry selective resonant inelastic X-ray scattering Physica B-Condensed Matter. 209: 105-107. DOI: 10.1016/0921-4526(94)01009-P |
0.411 |
|
1995 |
Luo Y, Ågren H, Minaev B, Jørgensen P. The hyperpolarizability of molecular oxygen Journal of Molecular Structure: Theochem. 336: 61-67. DOI: 10.1016/0166-1280(94)04095-A |
0.441 |
|
1995 |
Guo J, Skytt P, Wassdahl N, Nordgren J, Luo Y, Vahtras O, Ågren H. Resonant and non-resonant X-ray scattering from C70 Chemical Physics Letters. 235: 152-159. DOI: 10.1016/0009-2614(95)00083-G |
0.454 |
|
1995 |
Luo Y, Liegener C, Ågren H. Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene Chemical Physics Letters. 233: 123-128. DOI: 10.1016/0009-2614(94)01427-W |
0.444 |
|
1994 |
Luo Y, Agren H, Gel'mukhanov F. Symmetry assignments of occupied and unoccupied molecular orbitals through spectra of polarized resonance inelastic X-ray scattering Journal of Physics B: Atomic, Molecular and Optical Physics. 27: 4169-4180. DOI: 10.1088/0953-4075/27/18/015 |
0.45 |
|
1994 |
Glans P, Villa REL, Luo Y, Agren H, Nordgren J. X-ray emission spectroscopy measurements of fluorine substituted methanes Journal of Physics B: Atomic, Molecular and Optical Physics. 27: 3399-3414. DOI: 10.1088/0953-4075/27/15/016 |
0.452 |
|
1994 |
Mikkelsen KV, Luo Y, Ågren H, Jo/rgensen P. Solvent induced polarizabilities and hyperpolarizabilities of para‐nitroaniline studied by reaction field linear response theory The Journal of Chemical Physics. 100: 8240-8250. DOI: 10.1063/1.466767 |
0.444 |
|
1994 |
Guo J, Luo Y, Vahtras O, Skytt P, Wassdahl N, Ågren H, Nordgren J. Ab initio calculations of X-ray emission from C60 Chemical Physics Letters. 227: 98-102. DOI: 10.1016/0009-2614(94)00798-5 |
0.44 |
|
1993 |
Spirko V, Luo Y, Ågren H, Jo/rgensen P. Dipole hyperpolarizability surfaces of ammonia The Journal of Chemical Physics. 99: 9815-9819. DOI: 10.1063/1.465463 |
0.443 |
|
1993 |
Luo Y, Ågren H, Vahtras O, Jo/rgensen P, Spirko V, Hettema H. Frequency‐dependent polarizabilities and first hyperpolarizabilities of H2O The Journal of Chemical Physics. 98: 7159-7164. DOI: 10.1063/1.464733 |
0.439 |
|
1993 |
Luo Y, Vahtras O, Ågren H, Jørgensen P. Multiconfigurational quadratic response theory calculations of two-photon electronic transition probabilities of H2O Chemical Physics Letters. 204: 587-594. DOI: 10.1016/0009-2614(93)89209-Z |
0.462 |
|
1993 |
Luo Y, Ågren H, Vahtras O, Jørgensen P. The hyperpolarizability dispersion of para-nitroaniline Chemical Physics Letters. 207: 190-194. DOI: 10.1016/0009-2614(93)87013-S |
0.467 |
|
1993 |
Luo Y, Ågren H, Knuts S, Jørgensen P. The two-photon spectrum of pyrimidine. Role of vibronic coupling Chemical Physics Letters. 213: 357-362. DOI: 10.1016/0009-2614(93)85145-E |
0.459 |
|
1993 |
Luo Y, Ågren H, Knuts S, Minaev BF, Jørgensen P. Response theory calculations of the vibronically induced 1A1g−1B2u two-photon spectrum of benzene Chemical Physics Letters. 209: 513-518. DOI: 10.1016/0009-2614(93)80126-A |
0.442 |
|
1993 |
Luo Y, Vahtras O, Ågren H, Jørgensen P. Frequency-dependent polarizabilities and second hyperpolarizabilities of N2 Chemical Physics Letters. 205: 555-562. DOI: 10.1016/0009-2614(93)80012-E |
0.44 |
|
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