| Year |
Citation |
Score |
| 2024 |
Alfonso-Hernandez L, Freixas VM, Gibson T, Tretiak S, Fernandez-Alberti S. Tuning Electronic Relaxation of Nanorings Through Their Interlocking. Journal of Computational Chemistry. 46: e27533. PMID 39680665 DOI: 10.1002/jcc.27533 |
0.365 |
|
| 2024 |
Tracy DA, Fernandez-Alberti S, Galindo JF, Tretiak S, Roitberg AE. Nonadiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation. The Journal of Physical Chemistry. B. 128: 11426-11434. PMID 39530349 DOI: 10.1021/acs.jpcb.4c05600 |
0.37 |
|
| 2024 |
Samanta K, Deswal P, Alam S, Bhati M, Ivanov SA, Tretiak S, Ghosh D. Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights. Acs Nano. PMID 39189799 DOI: 10.1021/acsnano.4c05638 |
0.815 |
|
| 2024 |
Perez-Castillo R, Freixas VM, Mukamel S, Martinez-Mesa A, Uranga-Piña L, Tretiak S, Gelin MF, Fernandez-Alberti S. Transient-absorption spectroscopy of dendrimers nonadiabatic excited-state dynamics simulations. Chemical Science. 15: 13250-13261. PMID 39183915 DOI: 10.1039/d4sc01019a |
0.301 |
|
| 2024 |
Forde A, Evans AC, Nie W, Tretiak S, Neukirch AJ. Influence of Material Properties on Surface Chemistry Induced Circular Dichroism in Halide Perovskite: Computational Insights. Nano Letters. PMID 39018419 DOI: 10.1021/acs.nanolett.4c02077 |
0.816 |
|
| 2024 |
Oldani N, Freixas VM, Ondarse-Alvarez D, Sharifzadeh S, Gibson T, Tretiak S, Fernandez-Alberti S. Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton. Journal of Chemical Theory and Computation. 20: 5820-5828. PMID 38984946 DOI: 10.1021/acs.jctc.4c00486 |
0.404 |
|
| 2024 |
Li Q, Huang A, Fan C, Yan L, Tretiak S, Zhou L. Extending the Charge Carrier Recombination Lifetime by Octahedral Rotations in Ruddlesden-Popper BaZrS Perovskites. The Journal of Physical Chemistry Letters. 7221-7227. PMID 38975710 DOI: 10.1021/acs.jpclett.4c01358 |
0.317 |
|
| 2024 |
Bassani CL, van Anders G, Banin U, Baranov D, Chen Q, Dijkstra M, Dimitriyev MS, Efrati E, Faraudo J, Gang O, Gaston N, Golestanian R, Guerrero-Garcia GI, Gruenwald M, Haji-Akbari A, ... ... Tretiak S, et al. Nanocrystal Assemblies: Current Advances and Open Problems. Acs Nano. PMID 38814908 DOI: 10.1021/acsnano.3c10201 |
0.453 |
|
| 2024 |
Forde A, Maity S, Freixas VM, Fernandez-Alberti S, Neukirch AJ, Kleinekathöfer U, Tretiak S. Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers. The Journal of Physical Chemistry Letters. 4142-4150. PMID 38593451 DOI: 10.1021/acs.jpclett.4c00362 |
0.784 |
|
| 2024 |
Li X, Lubbers N, Tretiak S, Barros K, Zhang Y. Machine Learning Framework for Modeling Exciton Polaritons in Molecular Materials. Journal of Chemical Theory and Computation. PMID 38168674 DOI: 10.1021/acs.jctc.3c01068 |
0.301 |
|
| 2023 |
Forde A, Tretiak S, Neukirch AJ. Dielectric Screening and Charge-Transfer in 2D Lead-Halide Perovskites for Reduced Exciton Binding Energies. Nano Letters. 23: 11586-11592. PMID 38065566 DOI: 10.1021/acs.nanolett.3c03320 |
0.809 |
|
| 2023 |
Freixas VM, Oldani N, Tretiak S, Fernandez-Alberti S. Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes. The Journal of Physical Chemistry Letters. 10145-10150. PMID 37924328 DOI: 10.1021/acs.jpclett.3c02628 |
0.35 |
|
| 2023 |
Singh S, Nayak PK, Tretiak S, Ghosh D. Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights. The Journal of Physical Chemistry Letters. 14: 9479-9489. PMID 37831811 DOI: 10.1021/acs.jpclett.3c02249 |
0.786 |
|
| 2023 |
Wu X, van der Heide T, Wen S, Frauenheim T, Tretiak S, Yam C, Zhang Y. Molecular dynamics study of plasmon-mediated chemical transformations. Chemical Science. 14: 4714-4723. PMID 37181766 DOI: 10.1039/d2sc06648c |
0.33 |
|
| 2023 |
Bhati M, Ivanov SA, Senftle TP, Tretiak S, Ghosh D. How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights. Nanoscale. PMID 37013402 DOI: 10.1039/d2nr06785d |
0.808 |
|
| 2023 |
Weight BM, Sifain AE, Gifford BJ, Htoon H, Tretiak S. On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects. Acs Nano. 17: 6208-6219. PMID 36972076 DOI: 10.1021/acsnano.2c08579 |
0.323 |
|
| 2023 |
Asthana A, Kumar A, Abraham V, Grimsley H, Zhang Y, Cincio L, Tretiak S, Dub PA, Economou SE, Barnes E, Mayhall NJ. Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer. Chemical Science. 14: 2405-2418. PMID 36873839 DOI: 10.1039/d2sc05371c |
0.309 |
|
| 2023 |
Tsai H, Ghosh D, Kinigstein E, Dryzhakov B, Driscoll H, Owczarek M, Hu B, Zhang X, Tretiak S, Nie W. Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films. Nano Letters. PMID 36603204 DOI: 10.1021/acs.nanolett.2c03403 |
0.812 |
|
| 2022 |
Wu X, Liu B, Frauenheim T, Tretiak S, Yam C, Zhang Y. Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics. The Journal of Chemical Physics. 157: 214201. PMID 36511539 DOI: 10.1063/5.0127435 |
0.307 |
|
| 2022 |
Timmer D, Zheng F, Gittinger M, Quenzel T, Lünemann DC, Winte K, Zhang Y, Madjet ME, Zablocki J, Lützen A, Zhong JH, De Sio A, Frauenheim T, Tretiak S, Lienau C. Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes. Journal of the American Chemical Society. PMID 36206456 DOI: 10.1021/jacs.2c08682 |
0.344 |
|
| 2022 |
Alfonso Hernandez L, Freixas VM, Rodriguez-Hernandez B, Tretiak S, Fernandez-Alberti S, Oldani N. Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring. Physical Chemistry Chemical Physics : Pccp. 24: 24095-24104. PMID 36178044 DOI: 10.1039/d2cp03162k |
0.346 |
|
| 2022 |
Forde A, Freixas VM, Fernandez-Alberti S, Neukirch AJ, Tretiak S. Charge-Transfer Luminescence in a Molecular Donor-Acceptor Complex: Computational Insights. The Journal of Physical Chemistry Letters. 8755-8760. PMID 36099248 DOI: 10.1021/acs.jpclett.2c02479 |
0.8 |
|
| 2022 |
Freixas VM, Tretiak S, Fernandez-Alberti S. Infinitene: Computational Insights from Nonadiabatic Excited State Dynamics. The Journal of Physical Chemistry Letters. 8495-8501. PMID 36066077 DOI: 10.1021/acs.jpclett.2c02296 |
0.359 |
|
| 2022 |
Wu X, Wen S, Song H, Frauenheim T, Tretiak S, Yam C, Zhang Y. Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method. The Journal of Chemical Physics. 157: 084114. PMID 36049993 DOI: 10.1063/5.0100339 |
0.342 |
|
| 2022 |
Tracy DA, Fernandez-Alberti S, Tretiak S, Roitberg AE. Adiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation. Journal of Chemical Theory and Computation. PMID 36044726 DOI: 10.1021/acs.jctc.2c00561 |
0.344 |
|
| 2022 |
Kumar A, Asthana A, Masteran C, Valeev EF, Zhang Y, Cincio L, Tretiak S, Dub PA. Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits. Journal of Chemical Theory and Computation. PMID 35984716 DOI: 10.1021/acs.jctc.2c00520 |
0.311 |
|
| 2022 |
Khan SN, Weight BM, Gifford BJ, Tretiak S, Bishop A. Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties. The Journal of Physical Chemistry Letters. 5801-5807. PMID 35726899 DOI: 10.1021/acs.jpclett.2c01036 |
0.324 |
|
| 2022 |
Perez CM, Ghosh D, Prezhdo O, Nie W, Tretiak S, Neukirch A. Point Defects in Two-Dimensional Ruddlesden-Popper Perovskites Explored with Ab Initio Calculations. The Journal of Physical Chemistry Letters. 5213-5219. PMID 35670577 DOI: 10.1021/acs.jpclett.2c00575 |
0.812 |
|
| 2022 |
Negrin-Yuvero H, Mukazhanova A, Freixas VM, Tretiak S, Sharifzadeh S, Fernandez-Alberti S. Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights. The Journal of Physical Chemistry. A. PMID 35084863 DOI: 10.1021/acs.jpca.1c09484 |
0.395 |
|
| 2022 |
Forde A, Ghosh D, Kilin D, Evans AC, Tretiak S, Neukirch AJ. Induced Chirality in Halide Perovskite Clusters through Surface Chemistry. The Journal of Physical Chemistry Letters. 13: 686-693. PMID 35023749 DOI: 10.1021/acs.jpclett.1c04060 |
0.782 |
|
| 2021 |
Gutiérrez-Meza E, Malatesta R, Li H, Bargigia I, Srimath Kandada AR, Valverde-Chávez DA, Kim SM, Li H, Stingelin N, Tretiak S, Bittner ER, Silva-Acuña C. Frenkel biexcitons in hybrid HJ photophysical aggregates. Science Advances. 7: eabi5197. PMID 34890231 DOI: 10.1126/sciadv.abi5197 |
0.518 |
|
| 2021 |
Galindo JF, Freixas VM, Tretiak S, Fernandez-Alberti S. Back-and-Forth Energy Transfer during Electronic Relaxation in a Chlorin-Perylene Dyad. The Journal of Physical Chemistry Letters. 12: 10394-10401. PMID 34669398 DOI: 10.1021/acs.jpclett.1c03034 |
0.344 |
|
| 2021 |
Teplukhin A, Kendrick BK, Mniszewski SM, Zhang Y, Kumar A, Negre CFA, Anisimov PM, Tretiak S, Dub PA. Computing molecular excited states on a D-Wave quantum annealer. Scientific Reports. 11: 18796. PMID 34552136 DOI: 10.1038/s41598-021-98331-y |
0.304 |
|
| 2021 |
Freixas VM, Wilhelm P, Nelson T, Hinderer F, Höger S, Tretiak S, Lupton JM, Fernandez-Alberti S. Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw. The Journal of Physical Chemistry. A. PMID 34542292 DOI: 10.1021/acs.jpca.1c06332 |
0.322 |
|
| 2021 |
Lewis SG, Ghosh D, Jensen KL, Finkenstadt D, Shabaev A, Lambrakos SG, Liu F, Nie W, Blancon JC, Zhou L, Crochet JJ, Moody N, Mohite AD, Tretiak S, Neukirch AJ. Cesium-Coated Halide Perovskites as a Photocathode Material: Modeling Insights. The Journal of Physical Chemistry Letters. 6269-6276. PMID 34197122 DOI: 10.1021/acs.jpclett.1c01412 |
0.792 |
|
| 2021 |
Song H, Freixas VM, Fernandez-Alberti S, White AJ, Zhang Y, Mukamel S, Govind N, Tretiak S. An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of Chemical Theory and Computation. PMID 34014085 DOI: 10.1021/acs.jctc.1c00131 |
0.332 |
|
| 2021 |
Liu F, Sidhik S, Hoffbauer MA, Lewis S, Neukirch AJ, Pavlenko V, Tsai H, Nie W, Even J, Tretiak S, Ajayan PM, Kanatzidis MG, Crochet JJ, Moody NA, Blancon JC, et al. Highly efficient photoelectric effect in halide perovskites for regenerative electron sources. Nature Communications. 12: 673. PMID 33514723 DOI: 10.1038/s41467-021-20954-6 |
0.8 |
|
| 2021 |
Perez CM, Ghosh D, Prezhdo O, Tretiak S, Neukirch AJ. Excited-State Properties of Defected Halide Perovskite Quantum Dots: Insights from Computation. The Journal of Physical Chemistry Letters. 1005-1011. PMID 33470811 DOI: 10.1021/acs.jpclett.0c03317 |
0.821 |
|
| 2020 |
Mukazhanova A, Malone W, Negrin-Yuvero H, Fernandez-Alberti S, Tretiak S, Sharifzadeh S. Photoexcitation dynamics in perylene diimide dimers. The Journal of Chemical Physics. 153: 244117. PMID 33380092 DOI: 10.1063/5.0031485 |
0.361 |
|
| 2020 |
Rodríguez-Hernández B, Nelson T, Oldani N, Martínez-Mesa A, Uranga-Piña L, Segawa Y, Tretiak S, Itami K, Fernandez-Alberti S. Exciton Spatial Dynamics and Self-Trapping in Carbon Nanocages. The Journal of Physical Chemistry Letters. 224-231. PMID 33326240 DOI: 10.1021/acs.jpclett.0c03364 |
0.31 |
|
| 2020 |
De Sio A, Sommer E, Nguyen XT, Groß L, Popović D, Nebgen BT, Fernandez-Alberti S, Pittalis S, Rozzi CA, Molinari E, Mena-Osteritz E, Bäuerle P, Frauenheim T, Tretiak S, Lienau C. Intermolecular conical intersections in molecular aggregates. Nature Nanotechnology. PMID 33199882 DOI: 10.1038/s41565-020-00791-2 |
0.303 |
|
| 2020 |
Mix MT, Ghosh D, Tisdale JT, Lee MC, O'Neal KR, Sirica N, Neukirch AJ, Nie W, Taylor AJ, Prasankumar RP, Tretiak S, Yarotski DA. Hot Carrier Cooling and Recombination Dynamics of Chlorine Doped Hybrid Perovskite Single Crystals. The Journal of Physical Chemistry Letters. PMID 32902990 DOI: 10.1021/Acs.Jpclett.0C02243 |
0.804 |
|
| 2020 |
Shrestha S, Tsai H, Yoho M, Ghosh D, Liu F, Lei Y, Tisdale J, Baldwin JK, Xu S, Neukirch AJ, Tretiak S, Vo D, Nie W. The Role of Metal-Semiconductor Interface in Halide Perovskite Devices for Radiation Photon Counting. Acs Applied Materials & Interfaces. PMID 32886475 DOI: 10.1021/Acsami.0C11805 |
0.788 |
|
| 2020 |
Song H, Fischer SA, Zhang Y, Cramer CJ, Mukamel S, Govind N, Tretiak S. First Principles Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of Chemical Theory and Computation. PMID 32808780 DOI: 10.1021/Acs.Jctc.0C00295 |
0.444 |
|
| 2020 |
Gifford BJ, Kilina S, Htoon H, Doorn SK, Tretiak S. Controlling Defect-State Photophysics in Covalently Functionalized Single-Walled Carbon Nanotubes. Accounts of Chemical Research. PMID 32805109 DOI: 10.1021/Acs.Accounts.0C00210 |
0.374 |
|
| 2020 |
Alfonso-Hernandez L, Athanasopoulos S, Tretiak S, Miguel B, Bastida A, Fernandez-Alberti S. Vibrational energy redistribution during donor-acceptor electronic energy transfer: criteria to identify subsets of active normal modes Physical Chemistry Chemical Physics. 22: 18454-18466. PMID 32776046 DOI: 10.1039/D0Cp03102J |
0.389 |
|
| 2020 |
Malone W, Nebgen B, White A, Zhang Y, Song H, Bjorgaard JA, Sifain AE, Rodriguez-Hernandez B, Freixas VM, Fernandez-Alberti S, Roitberg AE, Nelson TR, Tretiak S. NEXMD Software Package for Non-adiabatic Excited State Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. PMID 32635739 DOI: 10.1021/Acs.Jctc.0C00248 |
0.408 |
|
| 2020 |
Rodríguez-Hernández B, Oldani N, Martínez-Mesa A, Uranga-Piña L, Tretiak S, Fernandez-Alberti S. Photoexcited energy relaxation and vibronic couplings in π-conjugated carbon nanorings. Physical Chemistry Chemical Physics. 22: 15321-15332. PMID 32628225 DOI: 10.1039/D0Cp01452D |
0.409 |
|
| 2020 |
Zhou G, Nebgen B, Lubbers N, Malone WF, Niklasson AMN, Tretiak S. GPU-Accelerated Semi-Empirical Born Oppenheimer Molecular Dynamics using PyTorch. Journal of Chemical Theory and Computation. PMID 32609513 DOI: 10.1021/Acs.Jctc.0C00243 |
0.353 |
|
| 2020 |
Freixas VM, Oldani N, Franklin-Mergarejo R, Tretiak S, Fernandez-Alberti S. Electronic Energy Relaxation in a Photoexcited Fully Fused Edge-Sharing Carbon Nanobelt. Journal of Physical Chemistry Letters. 11: 4711-4719. PMID 32464064 DOI: 10.1021/Acs.Jpclett.0C01351 |
0.436 |
|
| 2020 |
Smith JS, Zubatyuk R, Nebgen B, Lubbers N, Barros K, Roitberg AE, Isayev O, Tretiak S. The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules. Scientific Data. 7: 134. PMID 32358545 DOI: 10.1038/S41597-020-0473-Z |
0.331 |
|
| 2020 |
Freixas Lemus VMM, Tretiak S, Makhov DV, Shalashilin DV, Fernandez-Alberti S. Vibronic Quantum Beating between Electronic Excited States in a Heterodimer. The Journal of Physical Chemistry. B. PMID 32309948 DOI: 10.1021/Acs.Jpcb.0C01685 |
0.453 |
|
| 2020 |
Tsai H, Liu C, Kinigstein E, Li M, Tretiak S, Cotlet M, Ma X, Zhang X, Nie W. Critical Role of Organic Spacers for Bright 2D Layered Perovskites Light-Emitting Diodes. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 7: 1903202. PMID 32274313 DOI: 10.1002/Advs.201903202 |
0.375 |
|
| 2020 |
Ghosh D, Welch EW, Neukirch AJ, Zakhidov A, Tretiak S. Polarons in Halide Perovskites: A Perspective. The Journal of Physical Chemistry Letters. PMID 32216360 DOI: 10.1021/Acs.Jpclett.0C00018 |
0.803 |
|
| 2020 |
Ghosh D, Neukirch AJ, Tretiak S. Optoelectronic Properties of Two-Dimensional Bromide Perovskites: Influences of Spacer Cations. The Journal of Physical Chemistry Letters. PMID 32208726 DOI: 10.1021/Acs.Jpclett.0C00594.S001 |
0.821 |
|
| 2020 |
Collins LF, Muckley ES, Tsai H, Ghosh D, Neukirch AJ, Tretiak S, Kalinin SV, Nie W, Ivanov IN. Correlation of spatial-temporal dynamics of polarization and charge transport in blended hybrid organic-inorganic perovskites on macro- and nano scales. Acs Applied Materials & Interfaces. PMID 32159935 DOI: 10.1021/Acsami.0C00561 |
0.795 |
|
| 2020 |
Zhang Y, Li L, Tretiak S, Nelson TR. Non-Adiabatic Excited-State Molecular Dynamics for Open-Shell Systems. Journal of Chemical Theory and Computation. PMID 32119549 DOI: 10.1021/Acs.Jctc.9B00928.S001 |
0.42 |
|
| 2020 |
Liu J, Li YY, Xuan Y, Zhou L, Wang D, Li Z, Lin H, Tretiak S, Wang H, Wang L, Guo Z, Zhang S. Multifunctional Cellulose Nanocrystals as a High-Efficient Polysulfide Stopper for Practical Li-S Batteries. Acs Applied Materials & Interfaces. PMID 32091194 DOI: 10.1021/Acsami.0C00537 |
0.305 |
|
| 2020 |
Kim Y, Goupalov SV, Weight BM, Gifford BJ, He X, Saha A, Kim M, Ao G, Wang Y, Zheng M, Tretiak S, Doorn SK, Htoon H. Hidden Fine Structure of Quantum Defects Revealed by Single Carbon Nanotube Magneto-Photoluminescence. Acs Nano. PMID 32053343 DOI: 10.1021/Acsnano.9B09548 |
0.372 |
|
| 2020 |
Nelson TR, White AJ, Bjorgaard JA, Sifain AE, Zhang Y, Nebgen B, Fernandez-Alberti S, Mozyrsky D, Roitberg AE, Tretiak S. Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials. Chemical Reviews. PMID 32040312 DOI: 10.1021/Acs.Chemrev.9B00447 |
0.491 |
|
| 2020 |
Zhou L, Dong H, Tretiak S. Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective. Nanoscale. PMID 32039423 DOI: 10.1039/C9Nr08755A |
0.31 |
|
| 2020 |
Traore B, Pedesseau L, Blancon JC, Tretiak S, Mohite AD, Even J, Katan C, Kepenekian M. Importance of vacancies and doping in hole transporting nickel oxide interface with halide perovskites. Acs Applied Materials & Interfaces. PMID 31916736 DOI: 10.1021/Acsami.9B19457 |
0.375 |
|
| 2020 |
Jensen KL, Shabaev A, Lambrakos SG, Finkenstadt D, Petillo JJ, Alexander AM, Smedley J, Moody NA, Yamaguchi H, Liu F, Neukirch AJ, Tretiak S. An extended moments model of quantum efficiency for metals and semiconductors Journal of Applied Physics. 128: 15301. DOI: 10.1063/5.0011145 |
0.796 |
|
| 2020 |
Jensen KL, Shabaev A, Lambrakos SG, Finkenstadt D, Moody NA, Neukirch AJ, Tretiak S, Shiffler DA, Petillo JJ. Analytic model of electron transport through and over non-linear barriers Journal of Applied Physics. 127: 235301. DOI: 10.1063/5.0009759 |
0.79 |
|
| 2020 |
Ghosh D, Acharya D, Pedesseau L, Katan C, Even J, Tretiak S, Neukirch A. Charge Carrier Dynamics in Two-Dimensional Hybrid Perovskites: Dion-Jacobson vs. Ruddlesden-Popper Phases Journal of Materials Chemistry. DOI: 10.1039/D0Ta07205B |
0.813 |
|
| 2020 |
Rybin N, Ghosh D, Tisdale J, Shrestha S, Yoho M, Vo D, Even J, Katan C, Nie W, Neukirch AJ, Tretiak S. Effects of Chlorine Mixing on Optoelectronics, Ion Migration, and Gamma-Ray Detection in Bromide Perovskites Chemistry of Materials. 32: 1854-1863. DOI: 10.1021/Acs.Chemmater.9B04244 |
0.793 |
|
| 2020 |
Liu F, Yoho M, Tsai H, Fernando K, Tisdale J, Shrestha S, Baldwin JK, Mohite AD, Tretiak S, Vo DT, Nie W. The working principle of hybrid perovskite gamma-ray photon counter Materials Today. 37: 27-34. DOI: 10.1016/J.Mattod.2020.02.022 |
0.31 |
|
| 2019 |
Gifford BJ, Saha A, Weight BM, He X, Ao G, Zheng M, Htoon H, Kilina S, Doorn SK, Tretiak S. Mod(n-m,3) Dependence of Defect-State Emission Bands in Aryl Functionalized Carbon Nanotubes. Nano Letters. PMID 31682455 DOI: 10.1021/Acs.Nanolett.9B02926 |
0.379 |
|
| 2019 |
Leveillee J, Katan C, Even J, Ghosh D, Nie W, Mohite AD, Tretiak S, Schleife A, Neukirch AJ. Tuning electronic structure in layered hybrid perovskites with organic spacer substitution. Nano Letters. PMID 31675242 DOI: 10.1021/Acs.Nanolett.9B03427 |
0.806 |
|
| 2019 |
Zhang Y, Nelson T, Tretiak S. Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions. The Journal of Chemical Physics. 151: 154109. PMID 31640366 DOI: 10.1063/1.5116550 |
0.433 |
|
| 2019 |
Ghosh D, Acharya D, Zhou L, Nie W, Prezhdo OV, Tretiak S, Neukirch AJ. Lattice Expansion in Hybrid Perovskites: Effect on Optoelectronic Properties and Charge Carrier Dynamics. The Journal of Physical Chemistry Letters. PMID 31407911 DOI: 10.1021/Acs.Jpclett.9B02020 |
0.819 |
|
| 2019 |
Phan H, Kelly TJ, Zhugayevych A, Bazan GC, Nguyen TQ, Jarvis EA, Tretiak S. Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling. The Journal of Physical Chemistry Letters. PMID 31291110 DOI: 10.1021/Acs.Jpclett.9B01572 |
0.444 |
|
| 2019 |
Zhou L, Katan C, Nie W, Tsai H, Pedesseau L, Crochet JJ, Even J, Mohite AD, Tretiak S, Neukirch AJ. Cation Alloying Delocalizes Polarons in Lead Halide Perovskites. The Journal of Physical Chemistry Letters. 3516-3524. PMID 31188606 DOI: 10.1021/Acs.Jpclett.9B01077 |
0.808 |
|
| 2019 |
Tukachev NV, Maslennikov DR, Sosorev AY, Tretiak S, Zhugayevych A. Ground-State Geometry and Vibrations of Polyphenylenevinylene Oligomers. The Journal of Physical Chemistry Letters. 3232-3239. PMID 31141372 DOI: 10.1021/Acs.Jpclett.9B01200 |
0.371 |
|
| 2019 |
Sifain AE, Wang L, Tretiak S, Prezhdo OV. Numerical tests of coherence-corrected surface hopping methods using a donor-bridge-acceptor model system. The Journal of Chemical Physics. 150: 194104. PMID 31117794 DOI: 10.1063/1.5092999 |
0.53 |
|
| 2019 |
He X, Sun L, Gifford BJ, Tretiak S, Piryatinski A, Li X, Htoon H, Doorn SK. Intrinsic limits of defect-state photoluminescence dynamics in functionalized carbon nanotubes. Nanoscale. PMID 31032824 DOI: 10.1039/C9Nr02175B |
0.384 |
|
| 2019 |
Freixas VM, Ondarse-Alvarez D, Tretiak S, Makhov DV, Shalashilin DV, Fernandez-Alberti S. Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks. The Journal of Chemical Physics. 150: 124301. PMID 30927877 DOI: 10.1063/1.5086680 |
0.405 |
|
| 2019 |
Gifford BJ, He X, Kim M, Kwon H, Saha A, Sifain AE, Wang Y, Htoon H, Kilina S, Doorn SK, Tretiak S. Optical Effects of Divalent Functionalization of Carbon Nanotubes Chemistry of Materials. 31: 6950-6961. DOI: 10.1021/Acs.Chemmater.9B01438 |
0.325 |
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| 2018 |
Neukirch AJ, Abate II, Zhou L, Nie W, Tsai H, Pedesseau L, Even J, Crochet JJ, Mohite AD, Katan C, Tretiak S. Geometry Distortion and Small Polaron Binding Energy Changes with Ionic Substitution in Halide Perovskites. The Journal of Physical Chemistry Letters. PMID 30523689 DOI: 10.1021/Acs.Jpclett.8B03343 |
0.82 |
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| 2018 |
Ondarse-Alvarez D, Nelson TR, Lupton JM, Tretiak S, Fernandez-Alberti S. Let Digons be Bygones: The Fate of Excitons in Curved π-Systems. The Journal of Physical Chemistry Letters. PMID 30508376 DOI: 10.1021/Acs.Jpclett.8B03160 |
0.422 |
|
| 2018 |
Zhou L, Zhang Y, Zhuo Z, Neukirch AJ, Tretiak S. Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability. The Journal of Physical Chemistry Letters. 6915-6920. PMID 30472850 DOI: 10.1021/Acs.Jpclett.8B03077 |
0.811 |
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| 2018 |
Ondarse-Alvarez D, Oldani N, Roitberg AE, Kleiman V, Tretiak S, Fernandez-Alberti S. Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer. Physical Chemistry Chemical Physics : Pccp. 20: 29648-29660. PMID 30465570 DOI: 10.1039/C8Cp05852K |
0.462 |
|
| 2018 |
Sifain AE, Gifford BJ, Gao DW, Lystrom L, Nelson TR, Tretiak S. NEXMD Modeling of Photoisomerization Dynamics of 4-Styrylquinoline. The Journal of Physical Chemistry. A. PMID 30388012 DOI: 10.1021/Acs.Jpca.8B09103 |
0.396 |
|
| 2018 |
Saha A, Gifford BJ, He X, Ao G, Zheng M, Kataura H, Htoon H, Kilina S, Tretiak S, Doorn SK. Narrow-band single-photon emission through selective aryl functionalization of zigzag carbon nanotubes. Nature Chemistry. PMID 30177779 DOI: 10.1038/S41557-018-0126-4 |
0.366 |
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| 2018 |
Kepenekian M, Traore B, Blancon JC, Pedesseau L, Tsai H, Nie W, Stoumpos CC, Kanatzidis MG, Even J, Mohite AD, Tretiak S, Katan C. Concept of lattice mismatch and emergence of surface states in 2D hybrid perovskite quantum wells. Nano Letters. PMID 30086221 DOI: 10.1021/Acs.Nanolett.8B02078 |
0.407 |
|
| 2018 |
Nebgen B, Lubbers N, Smith JS, Sifain AE, Lokhov A, Isayev O, Roitberg AE, Barros K, Tretiak S. Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks. Journal of Chemical Theory and Computation. PMID 30064217 DOI: 10.1021/Acs.Jctc.8B00524 |
0.395 |
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| 2018 |
Sifain AE, Lubbers N, Nebgen BT, Smith JS, Lokhov AY, Isayev O, Roitberg AE, Barros K, Tretiak S. Discovering a Transferable Charge Assignment Model Using Machine Learning. The Journal of Physical Chemistry Letters. PMID 30039707 DOI: 10.1021/Acs.Jpclett.8B01939 |
0.332 |
|
| 2018 |
Zhang Y, Nelson TR, Tretiak S, Guo H, Schatz GC. Plasmonic Hot-Carrier Mediated Tunable Photochemical Reactions. Acs Nano. PMID 30001116 DOI: 10.1021/Acsnano.8B03830 |
0.392 |
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| 2018 |
He X, Velizhanin KA, Bullard G, Bai Y, Olivier JH, Hartmann NF, Gifford BJ, Kilina SV, Tretiak S, Htoon H, Therien MJ, Doorn SK. Solvent and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States. Acs Nano. PMID 29995379 DOI: 10.1021/Acsnano.8B02909 |
0.409 |
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| 2018 |
Lystrom L, Zhang Y, Tretiak S, Nelson TR. Site-Specific Photodecomposition in Conjugated Energetic Materials. The Journal of Physical Chemistry. A. PMID 29957946 DOI: 10.1021/Acs.Jpca.8B04381 |
0.392 |
|
| 2018 |
Park M, Neukirch AJ, Reyes-Lillo SE, Lai M, Ellis SR, Dietze D, Neaton JB, Yang P, Tretiak S, Mathies RA. Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite. Nature Communications. 9: 2525. PMID 29955070 DOI: 10.1038/S41467-018-04946-7 |
0.822 |
|
| 2018 |
Freixas VM, Fernandez-Alberti S, Makhov DV, Tretiak S, Shalashilin D. An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules. Physical Chemistry Chemical Physics : Pccp. PMID 29917032 DOI: 10.1039/C8Cp02321B |
0.455 |
|
| 2018 |
Nelson TR, Ondarse-Alvarez D, Oldani N, Rodriguez-Hernandez B, Alfonso-Hernandez L, Galindo JF, Kleiman VD, Fernandez-Alberti S, Roitberg AE, Tretiak S. Coherent exciton-vibrational dynamics and energy transfer in conjugated organics. Nature Communications. 9: 2316. PMID 29899334 DOI: 10.1038/S41467-018-04694-8 |
0.473 |
|
| 2018 |
Blancon JC, Stier AV, Tsai H, Nie W, Stoumpos CC, Traoré B, Pedesseau L, Kepenekian M, Katsutani F, Noe GT, Kono J, Tretiak S, Crooker SA, Katan C, Kanatzidis MG, et al. Scaling law for excitons in 2D perovskite quantum wells. Nature Communications. 9: 2254. PMID 29884900 DOI: 10.1038/S41467-018-04659-X |
0.377 |
|
| 2018 |
Sifain AE, Bjorgaard JA, Nelson TR, Nebgen BT, White AJ, Gifford BJ, Gao DW, Prezhdo OV, Fernandez-Alberti S, Roitberg AE, Tretiak S. Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Journal of Chemical Theory and Computation. PMID 29874465 DOI: 10.1021/Acs.Jctc.8B00103 |
0.587 |
|
| 2018 |
Gifford BJ, Sifain AE, Htoon H, Doorn SK, Kilina SV, Tretiak S. Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes. The Journal of Physical Chemistry Letters. PMID 29678108 DOI: 10.1021/Acs.Jpclett.8B00653 |
0.365 |
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| 2018 |
Tsai H, Asadpour R, Blancon JC, Stoumpos CC, Durand O, Strzalka JW, Chen B, Verduzco R, Ajayan PM, Tretiak S, Even J, Alam MA, Kanatzidis MG, Nie W, Mohite AD. Light-induced lattice expansion leads to high-efficiency perovskite solar cells. Science (New York, N.Y.). 360: 67-70. PMID 29622649 DOI: 10.1126/Science.Aap8671 |
0.337 |
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| 2018 |
Zhang J, Zhang J, Zhou L, Cheng C, Lian C, Liu J, Tretiak S, Lischner J, Giustino F, Meng S. Universal Scaling of Intrinsic Resistivity in Two-Dimensional Metallic Borophene. Angewandte Chemie (International Ed. in English). PMID 29485742 DOI: 10.1002/ange.201800087 |
0.32 |
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| 2018 |
Traore B, Pedesseau L, Assam L, Che X, Blancon JC, Tsai H, Nie W, Stoumpos CC, Kanatzidis MG, Tretiak S, Mohite AD, Even J, Kepenekian M, Katan C. Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignment. Acs Nano. PMID 29481060 DOI: 10.1021/Acsnano.7B08202 |
0.389 |
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| 2018 |
Bjorgaard JA, Sheppard D, Tretiak S, Niklasson AMN. Extended lagrangian excited state molecular dynamics. Journal of Chemical Theory and Computation. PMID 29316401 DOI: 10.1021/Acs.Jctc.7B00857 |
0.419 |
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| 2018 |
Tsai H, Nie W, Blancon JC, Stoumpos CC, Soe CMM, Yoo J, Crochet J, Tretiak S, Even J, Sadhanala A, Azzellino G, Brenes R, Ajayan PM, Bulović V, Stranks SD, et al. Stable Light-Emitting Diodes Using Phase-Pure Ruddlesden-Popper Layered Perovskites. Advanced Materials (Deerfield Beach, Fla.). PMID 29314326 DOI: 10.1002/Adma.201704217 |
0.321 |
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| 2018 |
Liu K, Li H, Tretiak S, Chernyak V. Solvent effects and charge transfer states in organic photovoltaics: a time-dependent density functional theory study on the PCPDTBT:PCBM low band gap system Journal of Photonics For Energy. 8: 1. DOI: 10.1117/1.Jpe.8.032215 |
0.659 |
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| 2018 |
Leveillee J, Katan C, Zhou L, Mohite AD, Even J, Tretiak S, Schleife A, Neukirch AJ. Influence of
π
-conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskites Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.105406 |
0.823 |
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| 2018 |
Glückert JT, Adamska L, Schinner W, Hofmann MS, Doorn SK, Tretiak S, Högele A. Dipolar and charged localized excitons in carbon nanotubes Physical Review B. 98. DOI: 10.1103/Physrevb.98.195413 |
0.354 |
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| 2018 |
Zhou L, Neukirch AJ, Vogel DJ, Kilin DS, Pedesseau L, Carignano MA, Mohite AD, Even J, Katan C, Tretiak S. Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab Initio Molecular Dynamics Simulations Acs Energy Letters. 3: 787-793. DOI: 10.1021/Acsenergylett.8B00166 |
0.818 |
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| 2018 |
Rodríguez-Hernández B, Ondarse-Álvarez D, Oldani N, Martínez-Mesa A, Uranga-Piña L, Tretiak S, Fernández-Alberti S. Modification of Optical Properties and Excited-State Dynamics by Linearizing Cyclic Paraphenylene Chromophores The Journal of Physical Chemistry C. 122: 16639-16648. DOI: 10.1021/Acs.Jpcc.8B05582 |
0.421 |
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| 2018 |
Zhugayevych A, Mazaleva O, Naumov A, Tretiak S. Lowest-Energy Crystalline Polymorphs of P3HT The Journal of Physical Chemistry C. 122: 9141-9151. DOI: 10.1021/Acs.Jpcc.7B11271 |
0.347 |
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| 2018 |
Jiao Y, Ma F, Zhou L, Ng YH, Bell J, Tretiak S, Du A. Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction Materials Today Energy. 7: 136-140. DOI: 10.1016/J.Mtener.2018.01.005 |
0.353 |
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| 2017 |
Nieman R, Tsai H, Nie W, Aquino AJA, Mohite AD, Tretiak S, Li H, Lischka H. The crucial role of a spacer material on the efficiency of charge transfer processes in organic donor-acceptor junction solar cells. Nanoscale. PMID 29227494 DOI: 10.1039/C7Nr07125F |
0.515 |
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| 2017 |
Nie W, Tsai H, Blancon JC, Liu F, Stoumpos CC, Traore B, Kepenekian M, Durand O, Katan C, Tretiak S, Crochet J, Ajayan PM, Kanatzidis M, Even J, Mohite AD. Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxide. Advanced Materials (Deerfield Beach, Fla.). PMID 29226392 DOI: 10.1002/Adma.201703879 |
0.379 |
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| 2017 |
Oldani N, Doorn SK, Tretiak S, Fernandez-Alberti S. Photoinduced dynamics in cycloparaphenylenes: planarization, electron-phonon coupling, localization and intra-ring migration of the electronic excitation. Physical Chemistry Chemical Physics : Pccp. PMID 29134997 DOI: 10.1039/C7Cp06426H |
0.454 |
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| 2017 |
Belyanchikov MA, Zhukova ES, Tretiak S, Zhugayevych A, Dressel M, Uhlig F, Smiatek J, Fyta M, Thomas VG, Gorshunov BP. Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments. Physical Chemistry Chemical Physics : Pccp. PMID 29125156 DOI: 10.1039/C7Cp06472A |
0.347 |
|
| 2017 |
Ma X, Hartmann NF, Velizhanin KA, Baldwin JKS, Adamska L, Tretiak S, Doorn SK, Htoon H. Multi-exciton emission from solitary dopant states of carbon nanotubes. Nanoscale. PMID 29053165 DOI: 10.1039/C7Nr06661A |
0.37 |
|
| 2017 |
He X, Gifford BJ, Hartmann NF, Ihly R, Ma X, Kilina SV, Luo Y, Shayan K, Strauf S, Blackburn JL, Tretiak S, Doorn SK, Htoon H. Low Temperature Single Carbon Nanotube Spectroscopy of sp3 Quantum Defects. Acs Nano. PMID 28958146 DOI: 10.1021/Acsnano.7B03022 |
0.383 |
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| 2017 |
Nebgen BT, Magurudeniya HD, Kwock KWC, Ringstrand BS, Ahmed T, Seifert S, Zhu JX, Tretiak S, Firestone MA. Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids. Faraday Discussions. PMID 28956588 DOI: 10.1039/C7Fd00154A |
0.307 |
|
| 2017 |
Nelson TR, Fernandez-Alberti S, Roitberg AE, Tretiak S. Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores. The Journal of Physical Chemistry Letters. PMID 28603994 DOI: 10.1021/Acs.Jpclett.7B00790 |
0.432 |
|
| 2017 |
Zhou L, Zhuo Z, Kou L, Du A, Tretiak S. Computational Dissection of Two-dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis. Nano Letters. PMID 28585828 DOI: 10.1021/Acs.Nanolett.7B01704 |
0.363 |
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| 2017 |
Pelzer KM, Vázquez-Mayagoitia Á, Ratcliff LE, Tretiak S, Bair RA, Gray SK, Van Voorhis T, Larsen RE, Darling SB. Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer. Chemical Science. 8: 2597-2609. PMID 28553494 DOI: 10.1039/C6Sc04547B |
0.436 |
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| 2017 |
Zheng F, Fernandez-Alberti S, Tretiak S, Zhao Y. Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer. The Journal of Physical Chemistry. B. PMID 28482160 DOI: 10.1021/Acs.Jpcb.7B02021 |
0.467 |
|
| 2017 |
Athanasopoulos S, Alfonso Hernández L, Beljonne D, Fernandez-Alberti S, Tretiak S. Ultrafast Non-Förster Intramolecular Donor-Acceptor Excitation Energy Transfer. The Journal of Physical Chemistry Letters. PMID 28339205 DOI: 10.1021/Acs.Jpclett.7B00259 |
0.433 |
|
| 2017 |
Franklin-Mergarejo R, Nelson T, Tretiak S, Fernandez-Alberti S. Phonon bottleneck and long-lived excited states in π-conjugated pyrene hoop. Physical Chemistry Chemical Physics : Pccp. PMID 28338127 DOI: 10.1039/C7Cp00094D |
0.475 |
|
| 2017 |
Sifain AE, Tadesse LF, Bjorgaard JA, Chavez DE, Prezhdo OV, Scharff RJ, Tretiak S. Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study. The Journal of Chemical Physics. 146: 114308. PMID 28330340 DOI: 10.1063/1.4978579 |
0.559 |
|
| 2017 |
Blancon JC, Tsai H, Nie W, Stoumpos CC, Pedesseau L, Katan C, Kepenekian M, Soe CM, Appavoo K, Sfeir MY, Tretiak S, Ajayan PM, Kanatzidis MG, Even J, Crochet JJ, et al. Extremely efficient internal exciton dissociation through edge states in layered 2D perovskites. Science (New York, N.Y.). PMID 28280250 DOI: 10.1126/Science.Aal4211 |
0.474 |
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| 2017 |
Gifford BJ, Kilina S, Htoon H, Doorn SK, Tretiak S. Exciton Localization and Optical Emission in Aryl-Functionalized Carbon Nanotubes The Journal of Physical Chemistry C. 122: 1828-1838. DOI: 10.1021/Acs.Jpcc.7B09558 |
0.349 |
|
| 2017 |
Brown SL, Hobbie EK, Tretiak S, Kilin DS. First-Principles Study of Fluorescence in Silver Nanoclusters The Journal of Physical Chemistry C. 121: 23875-23885. DOI: 10.1021/Acs.Jpcc.7B04870 |
0.438 |
|
| 2017 |
Tsai H, Nie W, Lin Y, Blancon JC, Tretiak S, Even J, Gupta G, Ajayan PM, Mohite AD. Effect of Precursor Solution Aging on the Crystallinity and Photovoltaic Performance of Perovskite Solar Cells Advanced Energy Materials. 7: 1602159. DOI: 10.1002/Aenm.201602159 |
0.3 |
|
| 2017 |
Cui Q, Hu Y, Zhou C, Teng F, Huang J, Zhugayevych A, Tretiak S, Nguyen T, Bazan GC. Single Crystal Microwires of p
-DTS(FBTTh2
)2
and Their Use in the Fabrication of Field-Effect Transistors and Photodetectors Advanced Functional Materials. 28: 1702073. DOI: 10.1002/Adfm.201702073 |
0.38 |
|
| 2016 |
White A, Tretiak S, Mozyrsky D. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces. Chemical Science. 7: 4905-4911. PMID 30155138 DOI: 10.1039/C6Sc01319H |
0.381 |
|
| 2016 |
Coughlin JE, Zhugayevych A, Wang M, Bazan GC, Tretiak S. Charge delocalization characteristics of regioregular high mobility polymers. Chemical Science. 8: 1146-1151. PMID 28451255 DOI: 10.1039/C6Sc01599A |
0.421 |
|
| 2016 |
Alfonso Hernandez L, Nelson T, Gelin MF, Lupton JM, Tretiak S, Fernandez-Alberti S. Interference of Interchromophoric Energy-Transfer Pathways in π-Conjugated Macrocycles. The Journal of Physical Chemistry Letters. 7: 4936-4944. PMID 27934058 DOI: 10.1021/Acs.Jpclett.6B02236 |
0.387 |
|
| 2016 |
Pedesseau L, Sapori D, Traore B, Robles R, Fang HH, Loi MA, Tsai H, Nie W, Blancon JC, Neukirch A, Tretiak S, Mohite AD, Katan C, Even J, Kepenekian M. Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors. Acs Nano. PMID 27775343 DOI: 10.1021/Acsnano.6B05944 |
0.803 |
|
| 2016 |
Yen HJ, Tsai H, Zhou M, Holby EF, Choudhury S, Chen A, Adamska L, Tretiak S, Sanchez T, Iyer S, Zhang H, Zhu L, Lin H, Dai L, Wu G, et al. Structurally Defined 3D Nanographene Assemblies via Bottom-Up Chemical Synthesis for Highly Efficient Lithium Storage. Advanced Materials (Deerfield Beach, Fla.). PMID 27723130 DOI: 10.1002/Adma.201603613 |
0.311 |
|
| 2016 |
Ondarse-Alvarez D, Kömürlü S, Roitberg AE, Pierdominici-Sottile G, Tretiak S, Fernandez-Alberti S, Kleiman VD. Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution. Physical Chemistry Chemical Physics : Pccp. 18: 25080-25089. PMID 27711661 DOI: 10.1039/C6Cp04448D |
0.452 |
|
| 2016 |
Franklin-Mergarejo R, Alvarez DO, Tretiak S, Fernandez-Alberti S. Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics. Scientific Reports. 6: 31253. PMID 27507429 DOI: 10.1038/Srep31253 |
0.486 |
|
| 2016 |
Tsai H, Nie W, Blancon JC, Stoumpos CC, Asadpour R, Harutyunyan B, Neukirch AJ, Verduzco R, Crochet JJ, Tretiak S, Pedesseau L, Even J, Alam MA, Gupta G, Lou J, et al. High-efficiency two-dimensional Ruddlesden-Popper perovskite solar cells. Nature. PMID 27383783 DOI: 10.1038/Nature18306 |
0.794 |
|
| 2016 |
Bjorgaard JA, Sifain AE, Nelson TR, Myers TW, Veauthier JM, Chavez DE, Scharff RJ, Tretiak S. Two-Photon Absorption in Conjugated Energetic Molecules. The Journal of Physical Chemistry. A. PMID 27257984 DOI: 10.1021/Acs.Jpca.6B03136 |
0.441 |
|
| 2016 |
Neukirch AJ, Nie W, Blancon JC, Appavoo K, Tsai H, Sfeir MY, Katan C, Pedesseau L, Even J, Crochet JJ, Gupta G, Mohite AD, Tretiak S. Polaron stabilization by cooperative lattice distortion and cation rotations in hybrid perovskite materials. Nano Letters. PMID 27224519 DOI: 10.1021/Acs.Nanolett.6B01218 |
0.819 |
|
| 2016 |
Nie W, Blancon JC, Neukirch AJ, Appavoo K, Tsai H, Chhowalla M, Alam MA, Sfeir MY, Katan C, Even J, Tretiak S, Crochet JJ, Gupta G, Mohite AD. Light-activated photocurrent degradation and self-healing in perovskite solar cells. Nature Communications. 7: 11574. PMID 27181192 DOI: 10.1038/Ncomms11574 |
0.791 |
|
| 2016 |
Fernandez-Alberti S, Makhov DV, Tretiak S, Shalashilin DV. Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach. Physical Chemistry Chemical Physics : Pccp. 18: 10028-40. PMID 27004611 DOI: 10.1039/C5Cp07332D |
0.44 |
|
| 2016 |
Myers TW, Bjorgaard JA, Brown KE, Chavez DE, Hanson SK, Scharff RJ, Tretiak S, Veauthier JM. Energetic Chromophores: Low Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes. Journal of the American Chemical Society. PMID 26986744 DOI: 10.1021/Jacs.6B02155 |
0.331 |
|
| 2016 |
Nelson TR, Bjorgaard JA, Greenfield MT, Bolme CA, Brown KE, McGrane SD, Scharff RJ, Tretiak S. Ultrafast Photodissociation Dynamics of Nitromethane. The Journal of Physical Chemistry. A. PMID 26735907 DOI: 10.1021/Acs.Jpca.5B09776 |
0.38 |
|
| 2016 |
Bjorgaard JA, Velizhanin KA, Tretiak S. Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states Journal of Chemical Physics. 144. DOI: 10.1063/1.4946009 |
0.425 |
|
| 2016 |
Sifain AE, Bjorgaard JA, Myers TW, Veauthier JM, Chavez DE, Prezhdo OV, Scharff RJ, Tretiak S. Photoactive Excited States in Explosive Fe(II) Tetrazine Complexes: A Time-Dependent Density Functional Theory Study The Journal of Physical Chemistry C. 120: 28762-28773. DOI: 10.1021/Acs.Jpcc.6B10333 |
0.547 |
|
| 2016 |
Kim M, Adamska L, Hartmann NF, Kwon H, Liu J, Velizhanin KA, Piao Y, Powell LR, Meany B, Doorn SK, Tretiak S, Wang YH. Fluorescent Carbon Nanotube Defects Manifest Substantial Vibrational Reorganization Journal of Physical Chemistry C. 120: 11268-11276. DOI: 10.1021/Acs.Jpcc.6B02538 |
0.375 |
|
| 2016 |
Gelin MF, Tretiak S, Prezhdo O, Mukamel S. WITHDRAWN: Quantum Dynamics and Femtosecond Spectroscopy Chemical Physics. DOI: 10.1016/J.Chemphys.2016.11.004 |
0.493 |
|
| 2016 |
Gelin M, Tretiak S, Prezhdo O. Quantum Dynamics and Femtosecond Spectroscopy (in honor of Professor Vladimir Y. Chernyak on the occasion of his 60th birthday) Chemical Physics. 481: 1-2. DOI: 10.1016/J.Chemphys.2016.11.003 |
0.479 |
|
| 2016 |
Zhugayevych A, Postupna O, Wang H, Tretiak S. Modification of optoelectronic properties of conjugated oligomers due to donor/acceptor functionalization: DFT study Chemical Physics. 481: 133-143. DOI: 10.1016/J.Chemphys.2016.09.009 |
0.378 |
|
| 2016 |
Dandu N, Tretiak S, Kilina S, Kilin D. Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study Chemical Physics. 481: 144-156. DOI: 10.1016/J.Chemphys.2016.09.003 |
0.449 |
|
| 2016 |
Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules Chemical Physics. 481: 124-132. DOI: 10.1016/J.Chemphys.2016.08.033 |
0.673 |
|
| 2016 |
Huang S, Balasanthiran C, Tretiak S, Hoefelmeyer JD, Kilina SV, Kilin DS. Dynamics of charge at water-to-semiconductor interface: Case study of wet [0 0 1] anatase TiO2 nanowire Chemical Physics. 481: 184-190. DOI: 10.1016/J.Chemphys.2016.08.002 |
0.417 |
|
| 2016 |
Nelson T, Naumov A, Fernandez-Alberti S, Tretiak S. Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states Chemical Physics. DOI: 10.1016/J.Chemphys.2016.05.017 |
0.41 |
|
| 2016 |
Kuo C, Liu Y, Yarotski D, Li H, Xu P, Yen H, Tretiak S, Wang H. Synthesis, electrochemistry, STM investigation of oligothiophene self-assemblies with superior structural order and electronic properties Chemical Physics. 481: 191-197. DOI: 10.1016/J.Chemphys.2016.05.015 |
0.429 |
|
| 2016 |
Blancon JC, Nie W, Neukirch AJ, Gupta G, Tretiak S, Cognet L, Mohite AD, Crochet JJ. The Effects of Electronic Impurities and Electron–Hole Recombination Dynamics on Large-Grain Organic–Inorganic Perovskite Photovoltaic Efficiencies Advanced Functional Materials. 26: 4283-4292. DOI: 10.1002/Adfm.201505324 |
0.825 |
|
| 2015 |
Park YI, Postupna O, Zhugayevych A, Shin H, Park YS, Kim B, Yen HJ, Cheruku P, Martinez JS, Park JW, Tretiak S, Wang HL. A new pH sensitive fluorescent and white light emissive material through controlled intermolecular charge transfer. Chemical Science. 6: 789-797. PMID 28936321 DOI: 10.1039/C4Sc01911C |
0.327 |
|
| 2015 |
Nie W, Gupta G, Crone BK, Liu F, Smith DL, Ruden PP, Kuo CY, Tsai H, Wang HL, Li H, Tretiak S, Mohite AD. Interface Design Principles for High-Performance Organic Semiconductor Devices. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 2: 1500024. PMID 27980948 DOI: 10.1002/Advs.201500024 |
0.4 |
|
| 2015 |
Adamska L, Nazin GV, Doorn SK, Tretiak S. Self-Trapping of Charge Carriers in Semiconducting Carbon Nanotubes: Structural Analysis. The Journal of Physical Chemistry Letters. 6: 3873-9. PMID 26722885 DOI: 10.1021/Acs.Jpclett.5B01729 |
0.367 |
|
| 2015 |
Shenai PM, Fernandez-Alberti S, Bricker WP, Tretiak S, Zhao Y. Internal Conversion and Vibrational Energy Redistribution in Chlorophyll A. The Journal of Physical Chemistry. B. PMID 26651494 DOI: 10.1021/Acs.Jpcb.5B09548 |
0.394 |
|
| 2015 |
Hartmann NF, Yalcin SE, Adamska L, Hároz EH, Ma X, Tretiak S, Htoon H, Doorn SK. Photoluminescence imaging of solitary dopant sites in covalently doped single-wall carbon nanotubes. Nanoscale. PMID 26586162 DOI: 10.1039/C5Nr06343D |
0.365 |
|
| 2015 |
Galindo JF, Atas E, Altan A, Kuroda DG, Fernandez-Alberti S, Tretiak S, Roitberg AE, Kleiman VD. Correction to "Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations". Journal of the American Chemical Society. 137: 14229. PMID 26509965 DOI: 10.1021/Jacs.5B09791 |
0.362 |
|
| 2015 |
Bricker WP, Shenai PM, Ghosh A, Liu Z, Enriquez MG, Lambrev PH, Tan HS, Lo CS, Tretiak S, Fernandez-Alberti S, Zhao Y. Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study. Scientific Reports. 5: 13625. PMID 26346438 DOI: 10.1038/Srep13625 |
0.462 |
|
| 2015 |
Liu J, Kilina SV, Tretiak S, Prezhdo OV. Ligands Slow Down Pure-Dephasing in Semiconductor Quantum Dots. Acs Nano. 9: 9106-16. PMID 26284384 DOI: 10.1021/Acsnano.5B03255 |
0.558 |
|
| 2015 |
White AJ, Gorshkov VN, Tretiak S, Mozyrsky D. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo. The Journal of Chemical Physics. 143: 014115. PMID 26156473 DOI: 10.1063/1.4923473 |
0.349 |
|
| 2015 |
Galindo JF, Atas E, Altan A, Kuroda DG, Fernandez-Alberti S, Tretiak S, Roitberg AE, Kleiman V. DYNAMICS OF ENERGY TRANSFER IN A CONJUGATED DENDRIMER DRIVEN BY ULTRAFAST LOCALIZATION OF EXCITATIONS. Journal of the American Chemical Society. PMID 26122872 DOI: 10.1021/Jacs.5B04075 |
0.418 |
|
| 2015 |
Kilina S, Kilin D, Tretiak S. Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures. Chemical Reviews. 115: 5929-78. PMID 25993511 DOI: 10.1021/Acs.Chemrev.5B00012 |
0.338 |
|
| 2015 |
Liu J, Adamska L, Doorn SK, Tretiak S. Singlet and triplet excitons and charge polarons in cycloparaphenylenes: a density functional theory study. Physical Chemistry Chemical Physics : Pccp. 17: 14613-22. PMID 25971627 DOI: 10.1039/C5Cp01782C |
0.473 |
|
| 2015 |
Greenfield MT, McGrane SD, Bolme CA, Bjorgaard JA, Nelson TR, Tretiak S, Scharff RJ. Photoactive high explosives: linear and nonlinear photochemistry of petrin tetrazine chloride. The Journal of Physical Chemistry. A. 119: 4846-55. PMID 25951102 DOI: 10.1021/Acs.Jpca.5B02092 |
0.39 |
|
| 2015 |
Catanzaro MJ, Shi T, Tretiak S, Chernyak VY. Counting the number of excited states in organic semiconductor systems using topology. The Journal of Chemical Physics. 142: 084113. PMID 25725718 DOI: 10.1063/1.4908560 |
0.606 |
|
| 2015 |
Nie W, Tsai H, Asadpour R, Blancon JC, Neukirch AJ, Gupta G, Crochet JJ, Chhowalla M, Tretiak S, Alam MA, Wang HL, Mohite AD. Solar cells. High-efficiency solution-processed perovskite solar cells with millimeter-scale grains. Science (New York, N.Y.). 347: 522-5. PMID 25635093 DOI: 10.1126/Science.Aaa0472 |
0.786 |
|
| 2015 |
Zhugayevych A, Tretiak S. Theoretical description of structural and electronic properties of organic photovoltaic materials. Annual Review of Physical Chemistry. 66: 305-30. PMID 25580623 DOI: 10.1146/Annurev-Physchem-040214-121440 |
0.402 |
|
| 2015 |
Alfonso Hernandez L, Nelson T, Tretiak S, Fernandez-Alberti S. Photoexcited Energy Transfer in a Weakly Coupled Dimer. The Journal of Physical Chemistry. B. 119: 7242-52. PMID 25523832 DOI: 10.1021/Jp510557F |
0.413 |
|
| 2015 |
Bjorgaard JA, Velizhanin KA, Tretiak S. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients Journal of Chemical Physics. 143. DOI: 10.1063/1.4927167 |
0.366 |
|
| 2015 |
Bjorgaard JA, Kuzmenko V, Velizhanin KA, Tretiak S. Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations Journal of Chemical Physics. 142. DOI: 10.1063/1.4905828 |
0.402 |
|
| 2015 |
Sampat S, Mohite AD, Crone B, Tretiak S, Malko AV, Taylor AJ, Yarotski DA. Tunable charge transfer dynamics at tetracene/LiF/C60 interfaces Journal of Physical Chemistry C. 119: 1286-1290. DOI: 10.1021/Jp5095905 |
0.391 |
|
| 2015 |
Bjorgaard JA, Nelson T, Kalinin K, Kuzmenko V, Velizhanin KA, Tretiak S. Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent Chemical Physics Letters. 631: 66-69. DOI: 10.1016/J.Cplett.2015.04.030 |
0.389 |
|
| 2015 |
Nie W, Gupta G, Crone BK, Liu F, Smith DL, Ruden PP, Kuo C, Tsai H, Wang H, Li H, Tretiak S, Mohite AD. Semiconductors: Interface Design Principles for High-Performance Organic Semiconductor Devices (Adv. Sci. 6/2015) Advanced Science. 2. DOI: 10.1002/Advs.201570021 |
0.439 |
|
| 2014 |
Li H, Nieman R, Aquino AJ, Lischka H, Tretiak S. Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes. Journal of Chemical Theory and Computation. 10: 3280-9. PMID 26588297 DOI: 10.1021/Ct500072F |
0.464 |
|
| 2014 |
Kilina S, Cui P, Fischer SA, Tretiak S. Conditions for Directional Charge Transfer in CdSe Quantum Dots Functionalized by Ru(II) Polypyridine Complexes. The Journal of Physical Chemistry Letters. 5: 3565-76. PMID 26278611 DOI: 10.1021/Jz502017U |
0.43 |
|
| 2014 |
van der Poll TS, Zhugayevych A, Chertkov E, Bakus RC, Coughlin JE, Teat SJ, Bazan GC, Tretiak S. Polymorphism of Crystalline Molecular Donors for Solution-Processed Organic Photovoltaics. The Journal of Physical Chemistry Letters. 5: 2700-4. PMID 26277966 DOI: 10.1021/Jz5012675 |
0.373 |
|
| 2014 |
Shi T, Li H, Tretiak S, Chernyak VY. How Geometric Distortions Scatter Electronic Excitations in Conjugated Macromolecules. The Journal of Physical Chemistry Letters. 5: 3946-52. PMID 26276475 DOI: 10.1021/Jz501912D |
0.692 |
|
| 2014 |
Li H, Catanzaro MJ, Tretiak S, Chernyak VY. Excited-State Structure Modifications Due to Molecular Substituents and Exciton Scattering in Conjugated Molecules. The Journal of Physical Chemistry Letters. 5: 641-7. PMID 26270830 DOI: 10.1021/Jz4027198 |
0.628 |
|
| 2014 |
Makarov NS, Lau PC, Olson C, Velizhanin KA, Solntsev KM, Kieu K, Kilina S, Tretiak S, Norwood RA, Peyghambarian N, Perry JW. Two-photon absorption in CdSe colloidal quantum dots compared to organic molecules. Acs Nano. 8: 12572-86. PMID 25427158 DOI: 10.1021/Nn505428X |
0.377 |
|
| 2014 |
White AJ, Gorshkov VN, Wang R, Tretiak S, Mozyrsky D. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics. The Journal of Chemical Physics. 141: 184101. PMID 25399126 DOI: 10.1063/1.4900988 |
0.413 |
|
| 2014 |
Adamska L, Nayyar I, Chen H, Swan AK, Oldani N, Fernandez-Alberti S, Golder MR, Jasti R, Doorn SK, Tretiak S. Self-trapping of excitons, violation of Condon approximation, and efficient fluorescence in conjugated cycloparaphenylenes. Nano Letters. 14: 6539-46. PMID 25310514 DOI: 10.1021/Nl503133E |
0.484 |
|
| 2014 |
Ma X, Adamska L, Yamaguchi H, Yalcin SE, Tretiak S, Doorn SK, Htoon H. Electronic structure and chemical nature of oxygen dopant states in carbon nanotubes. Acs Nano. 8: 10782-9. PMID 25265272 DOI: 10.1021/Nn504553Y |
0.424 |
|
| 2014 |
Soler MA, Nelson T, Roitberg AE, Tretiak S, Fernandez-Alberti S. Signature of nonadiabatic coupling in excited-state vibrational modes. The Journal of Physical Chemistry. A. 118: 10372-9. PMID 24844735 DOI: 10.1021/Jp503350K |
0.334 |
|
| 2014 |
Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials. Accounts of Chemical Research. 47: 1155-64. PMID 24673100 DOI: 10.1021/Ar400263P |
0.467 |
|
| 2014 |
Lai LF, Love JA, Sharenko A, Coughlin JE, Gupta V, Tretiak S, Nguyen TQ, Wong WY, Bazan GC. Topological considerations for the design of molecular donors with multiple absorbing units. Journal of the American Chemical Society. 136: 5591-4. PMID 24655050 DOI: 10.1021/Ja501711M |
0.345 |
|
| 2014 |
White AJ, Tretiak S, Galperin M. Raman scattering in molecular junctions: a pseudoparticle formulation. Nano Letters. 14: 699-703. PMID 24447295 DOI: 10.1021/Nl4039532 |
0.4 |
|
| 2014 |
Han Y, Tretiak S, Kilin D. Dynamics of charge transfer at Au/Si metal-semiconductor nano-interface Molecular Physics. 112: 474-484. DOI: 10.1080/00268976.2013.842007 |
0.471 |
|
| 2014 |
Crooker SA, Liu F, Kelley MR, Martinez NJD, Nie W, Mohite A, Nayyar IH, Tretiak S, Smith DL, Ruden PP. Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies Applied Physics Letters. 105. DOI: 10.1063/1.4898700 |
0.34 |
|
| 2014 |
Oldani N, Tretiak S, Bazan G, Fernandez-Alberti S. Modeling of internal conversion in photoexcited conjugated molecular donors used in organic photovoltaics Energy and Environmental Science. 7: 1175-1184. DOI: 10.1039/C3Ee43170C |
0.487 |
|
| 2014 |
Coughlin JE, Zhugayevych A, Bakus RC, Van Der Poll TS, Welch GC, Teat SJ, Bazan GC, Tretiak S. A combined experimental and theoretical study of conformational preferences of molecular semiconductors Journal of Physical Chemistry C. 118: 15610-15623. DOI: 10.1021/Jp506172A |
0.389 |
|
| 2014 |
Ondarse-Alvarez D, Oldani N, Tretiak S, Fernandez-Alberti S. Computational study of photoexcited dynamics in bichromophoric cross-shaped oligofluorene Journal of Physical Chemistry A. 118: 10742-10753. DOI: 10.1021/Jp504720N |
0.464 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers. Journal of Chemical Theory and Computation. 9: 1144-54. PMID 26588757 DOI: 10.1021/Ct300837D |
0.723 |
|
| 2013 |
Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers. The Journal of Physical Chemistry Letters. 4: 1453-9. PMID 26282298 DOI: 10.1021/Jz4003197 |
0.676 |
|
| 2013 |
Sheng CX, Singh S, Gambetta A, Drori T, Tong M, Tretiak S, Vardeny ZV. Ultrafast intersystem-crossing in platinum containing π-conjugated polymers with tunable spin-orbit coupling. Scientific Reports. 3: 2653. PMID 24030602 DOI: 10.1038/Srep02653 |
0.355 |
|
| 2013 |
Li H, Malinin SV, Tretiak S, Chernyak VY. Effective tight-binding models for excitons in branched conjugated molecules. The Journal of Chemical Physics. 139: 064109. PMID 23947845 DOI: 10.1063/1.4818156 |
0.655 |
|
| 2013 |
Gorshkov VN, Tretiak S, Mozyrsky D. Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules. Nature Communications. 4: 2144. PMID 23864100 DOI: 10.1038/Ncomms3144 |
0.379 |
|
| 2013 |
Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence. The Journal of Chemical Physics. 138: 224111. PMID 23781787 DOI: 10.1063/1.4809568 |
0.376 |
|
| 2013 |
Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Conformational disorder in energy transfer: beyond Förster theory. Physical Chemistry Chemical Physics : Pccp. 15: 9245-56. PMID 23657784 DOI: 10.1039/C3Cp50857A |
0.442 |
|
| 2013 |
Park YI, Kuo CY, Martinez JS, Park YS, Postupna O, Zhugayevych A, Kim S, Park J, Tretiak S, Wang HL. Tailored electronic structure and optical properties of conjugated systems through aggregates and dipole-dipole interactions. Acs Applied Materials & Interfaces. 5: 4685-95. PMID 23607446 DOI: 10.1021/Am400766W |
0.428 |
|
| 2013 |
Duque JG, Oudjedi L, Crochet JJ, Tretiak S, Lounis B, Doorn SK, Cognet L. Mechanism of electrolyte-induced brightening in single-wall carbon nanotubes. Journal of the American Chemical Society. 135: 3379-82. PMID 23421604 DOI: 10.1021/Ja4001757 |
0.303 |
|
| 2013 |
Chen J, Schmitz A, Inerbaev T, Meng Q, Kilina S, Tretiak S, Kilin DS. First-principles study of p-n-doped silicon quantum dots: Charge transfer, energy dissipation, and time-resolved emission Journal of Physical Chemistry Letters. 4: 2906-2913. DOI: 10.1021/Jz400760H |
0.46 |
|
| 2013 |
Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of packing on formation of deep carrier traps in amorphous conjugated polymers Journal of Physical Chemistry Letters. 4: 1453-1459. DOI: 10.1021/jz4003197 |
0.594 |
|
| 2013 |
Nayyar IH, Masunov AE, Tretiak S. Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes Journal of Physical Chemistry C. 117: 18170-18189. DOI: 10.1021/Jp403981D |
0.386 |
|
| 2013 |
Zhugayevych A, Postupna O, Bakus RC, Welch GC, Bazan GC, Tretiak S. Ab initio study of a molecular crystal for photovoltaics: Light absorption, exciton and charge carrier transport Journal of Physical Chemistry C. 117: 4920-4930. DOI: 10.1021/Jp310855P |
0.448 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of geometric distortion and polarization in localizing electronic excitations in conjugated polymers Journal of Chemical Theory and Computation. 9: 1144-1154. DOI: 10.1021/ct300837d |
0.635 |
|
| 2013 |
Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules Chemical Physics Letters. 590: 208-213. DOI: 10.1016/J.Cplett.2013.10.052 |
0.407 |
|
| 2013 |
Ramirez J, Mayo ML, Kilina S, Tretiak S. Electronic structure and optical spectra of semiconducting carbon nanotubes functionalized by diazonium salts Chemical Physics. 413: 89-101. DOI: 10.1016/J.Chemphys.2012.10.010 |
0.378 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Effect of trans- and cis-isomeric defects on the localization of the charged excitations in π-conjugated organic polymers Journal of Polymer Science, Part B: Polymer Physics. 51: 935-942. DOI: 10.1002/Polb.23291 |
0.699 |
|
| 2012 |
Li H, Chernyak VY, Tretiak S. Natural Atomic Orbital Representation for Optical Spectra Calculations in the Exciton Scattering Approach. The Journal of Physical Chemistry Letters. 3: 3734-9. PMID 26291103 DOI: 10.1021/Jz301521P |
0.647 |
|
| 2012 |
Fernandez-Alberti S, Roitberg AE, Kleiman VD, Nelson T, Tretiak S. Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers. The Journal of Chemical Physics. 137: 22A526. PMID 23249063 DOI: 10.1063/1.4745835 |
0.419 |
|
| 2012 |
Soler MA, Roitberg AE, Nelson T, Tretiak S, Fernandez-Alberti S. Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers. The Journal of Physical Chemistry. A. 116: 9802-10. PMID 22985079 DOI: 10.1021/Jp301293E |
0.337 |
|
| 2012 |
Fernandez-Alberti S, Roitberg AE, Nelson T, Tretiak S. Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules. The Journal of Chemical Physics. 137: 014512. PMID 22779670 DOI: 10.1063/1.4732536 |
0.413 |
|
| 2012 |
Kilina S, Velizhanin KA, Ivanov S, Prezhdo OV, Tretiak S. Surface ligands increase photoexcitation relaxation rates in CdSe quantum dots. Acs Nano. 6: 6515-24. PMID 22742432 DOI: 10.1021/Nn302371Q |
0.554 |
|
| 2012 |
Kilina S, Ramirez J, Tretiak S. Brightening of the lowest exciton in carbon nanotubes via chemical functionalization. Nano Letters. 12: 2306-12. PMID 22494501 DOI: 10.1021/Nl300165W |
0.341 |
|
| 2012 |
Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters. The Journal of Chemical Physics. 136: 054108. PMID 22320726 DOI: 10.1063/1.3680565 |
0.585 |
|
| 2012 |
Fischer SA, Crotty AM, Kilina SV, Ivanov SA, Tretiak S. Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals. Nanoscale. 4: 904-14. PMID 22170563 DOI: 10.1039/C2Nr11398H |
0.439 |
|
| 2012 |
Clark J, Nelson T, Tretiak S, Cirmi G, Lanzani G. Femtosecond torsional relaxation Nature Physics. 8: 225-231. DOI: 10.1038/Nphys2210 |
0.346 |
|
| 2012 |
Kilina S, Velizhanin KA, Ivanov S, Prezhdo OV, Tretiak S. Surface ligands increase photoexcitation relaxation rates in Cdse quantum dots Acs Nano. 6: 6515-6524. DOI: 10.1021/nn302371q |
0.493 |
|
| 2012 |
Furmanchuk A, Leszczynski J, Tretiak S, Kilina SV. Morphology and optical response of carbon nanotubes functionalized by conjugated polymers Journal of Physical Chemistry C. 116: 6831-6840. DOI: 10.1021/Jp211541Q |
0.352 |
|
| 2012 |
Goel S, Velizhanin KA, Piryatinski A, Ivanov SA, Tretiak S. Ligand effects on optical properties of small gold clusters: A TDDFT study Journal of Physical Chemistry C. 116: 3242-3249. DOI: 10.1021/Jp208732K |
0.365 |
|
| 2011 |
Duque JG, Chen H, Swan AK, Shreve AP, Kilina S, Tretiak S, Tu X, Zheng M, Doorn SK. Violation of the condon approximation in semiconducting carbon nanotubes. Acs Nano. 5: 5233-41. PMID 21612303 DOI: 10.1021/Nn201430Z |
0.377 |
|
| 2011 |
Chernyak VY, Knoester J, Tretiak S. Tribute to Shaul Mukamel. The Journal of Physical Chemistry. B. 115: 5037-8. PMID 21542650 DOI: 10.1021/Jp202931J |
0.454 |
|
| 2011 |
Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules. The Journal of Physical Chemistry. B. 115: 5402-14. PMID 21218841 DOI: 10.1021/Jp109522G |
0.672 |
|
| 2011 |
Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering on symmetric branching centers in conjugated molecules. The Journal of Physical Chemistry. B. 115: 5465-75. PMID 21194223 DOI: 10.1021/Jp110317D |
0.645 |
|
| 2011 |
Wettach H, Höger S, Chaudhuri D, Lupton JM, Liu F, Lupton EM, Tretiak S, Wang G, Li M, De Feyter S, Fischer S, Förster S. Synthesis and properties of a triphenylene-butadiynylene macrocycle Journal of Materials Chemistry. 21: 1404-1415. DOI: 10.1039/C0Jm02150D |
0.369 |
|
| 2011 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Localization of electronic excitations in conjugated polymers studied by DFT Journal of Physical Chemistry Letters. 2: 566-571. DOI: 10.1021/Jz101740W |
0.703 |
|
| 2011 |
Albert VV, Ivanov SA, Tretiak S, Kilina SV. Electronic structure of ligated cdse clusters: Dependence on DFT methodology Journal of Physical Chemistry C. 115: 15793-15800. DOI: 10.1021/Jp202510Z |
0.414 |
|
| 2011 |
Albert VV, Badaeva E, Kilina S, Sykora M, Tretiak S. The Frenkel exciton Hamiltonian for functionalized Ru(II)-bpy complexes Journal of Luminescence. 131: 1739-1746. DOI: 10.1016/J.Jlumin.2011.04.009 |
0.431 |
|
| 2011 |
Yang P, Tretiak S, Ivanov S. Influence of Surfactants and Charges on CdSe Quantum Dots Journal of Cluster Science. 22: 405-431. DOI: 10.1007/S10876-011-0398-Y |
0.45 |
|
| 2011 |
Kobayashi T, Du J, Feng W, Yoshino K, Tretiak S, Saxena A, Bishop AR. Observation of breather and soliton in a substituted polythiophene with a degenerate ground state Physica Status Solidi (C) Current Topics in Solid State Physics. 8: 74-79. DOI: 10.1002/Pssc.201000351 |
0.409 |
|
| 2011 |
Tretiak S. Modeling of photoinduced relaxation pathways in conjugated polymers Acs National Meeting Book of Abstracts. |
0.351 |
|
| 2010 |
Katan C, Blanchard-Desce M, Tretiak S. Position Isomerism on One and Two Photon Absorption in Multibranched Chromophores: A TDDFT Investigation. Journal of Chemical Theory and Computation. 6: 3410-26. PMID 26617095 DOI: 10.1021/Ct1004406 |
0.429 |
|
| 2010 |
Badaeva E, Harpham MR, Guda R, Süzer Ö, Ma CQ, Bäuerle P, Goodson T, Tretiak S. Excited-state structure of oligothiophene dendrimers: computational and experimental study. The Journal of Physical Chemistry. B. 114: 15808-17. PMID 21077602 DOI: 10.1021/Jp109624D |
0.426 |
|
| 2010 |
Badaeva E, Albert VV, Kilina S, Koposov A, Sykora M, Tretiak S. Effect of deprotonation on absorption and emission spectra of Ru(II)-bpy complexes functionalized with carboxyl groups. Physical Chemistry Chemical Physics : Pccp. 12: 8902-13. PMID 20556275 DOI: 10.1039/B924910A |
0.418 |
|
| 2010 |
Li H, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra. The Journal of Chemical Physics. 132: 124103. PMID 20370110 DOI: 10.1063/1.3366521 |
0.652 |
|
| 2010 |
Katan C, Charlot M, Mongin O, Le Droumaguet C, Jouikov V, Terenziani F, Badaeva E, Tretiak S, Blanchard-Desce M. Simultaneous control of emission localization and two-photon absorption efficiency in dissymmetrical chromophores. The Journal of Physical Chemistry. B. 114: 3152-69. PMID 20163097 DOI: 10.1021/Jp911445M |
0.421 |
|
| 2010 |
Tao J, Tretiak S, Zhu JX. Prediction of excitation energies for conjugated oligomers and polymers from time-dependent density functional theor Materials. 3: 3430-3467. DOI: 10.3390/Ma3053430 |
0.394 |
|
| 2010 |
Katan C, Tretiak S, Even J. Two-photon transitions in triazole based quadrupolar and octupolar chromophores: A TD-DFT investigation Proceedings of Spie - the International Society For Optical Engineering. 7712. DOI: 10.1117/12.862574 |
0.414 |
|
| 2010 |
Kobayashi T, Du J, Feng W, Yoshino K, Tretiak S, Saxena A, Bishop AR. Observation of breather excitons and soliton in a substituted polythiophene with a degenerate ground state Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.075205 |
0.409 |
|
| 2010 |
Li H, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra Journal of Chemical Physics. 132. DOI: 10.1063/1.3366521 |
0.587 |
|
| 2010 |
Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Excited states of donor and acceptor substituted conjugated oligomers: A perspective from the exciton scattering approach Journal of Physical Chemistry Letters. 1: 3396-3400. DOI: 10.1021/Jz1013533 |
0.671 |
|
| 2010 |
Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE. Unidirectional energy transfer in conjugated molecules: The crucial role of high-frequency C ≡ C bonds Journal of Physical Chemistry Letters. 1: 2699-2704. DOI: 10.1021/Jz100794Z |
0.376 |
|
| 2010 |
Goel S, A.Velizhanin K, Piryatinski A, Tretiak S, Ivanov SA. DFT study of ligand binding to small gold clusters satyende Journal of Physical Chemistry Letters. 1: 927-931. DOI: 10.1021/Jz1000193 |
0.31 |
|
| 2009 |
Tao J, Tretiak S. Optical Absorptions of New Blue-Light Emitting Oligoquinolines Bearing Pyrenyl and Triphenyl Endgroups Investigated with Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 5: 866-72. PMID 26609594 DOI: 10.1021/Ct800523J |
0.461 |
|
| 2009 |
Körzdörfer T, Tretiak S, Kümmel S. Fluorescence quenching in an organic donor-acceptor dyad: A first principles study Journal of Chemical Physics. 131. PMID 19624200 DOI: 10.1063/1.3160666 |
0.355 |
|
| 2009 |
Kilina S, Badaeva E, Piryatinski A, Tretiak S, Saxena A, Bishop AR. Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations. Physical Chemistry Chemical Physics : Pccp. 11: 4113-23. PMID 19458812 DOI: 10.1039/B818473A |
0.477 |
|
| 2009 |
Kilina S, Ivanov S, Tretiak S. Effect of surface ligands on optical and electronic spectra of semiconductor nanoclusters. Journal of the American Chemical Society. 131: 7717-26. PMID 19425603 DOI: 10.1021/Ja9005749 |
0.403 |
|
| 2009 |
Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE. Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer. The Journal of Physical Chemistry. A. 113: 7535-42. PMID 19378966 DOI: 10.1021/Jp900904Q |
0.437 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors. Physical Review Letters. 102: 017401. PMID 19257238 DOI: 10.1103/Physrevlett.102.017401 |
0.554 |
|
| 2009 |
Wong CY, Curutchet C, Tretiak S, Scholes GD. Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes. The Journal of Chemical Physics. 130: 081104. PMID 19256589 DOI: 10.1063/1.3088846 |
0.332 |
|
| 2009 |
Tretiak S, Isborn CM, Niklasson AM, Challacombe M. Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories. The Journal of Chemical Physics. 130: 054111. PMID 19206962 DOI: 10.1063/1.3068658 |
0.34 |
|
| 2009 |
Yarotski DA, Kilina SV, Talin AA, Tretiak S, Prezhdo OV, Balatsky AV, Taylor AJ. Scanning tunneling microscopy of DNA-wrapped carbon nanotubes. Nano Letters. 9: 12-7. PMID 19086808 DOI: 10.1021/Nl801455T |
0.467 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors Physical Review Letters. 102. DOI: 10.1103/PhysRevLett.102.017401 |
0.477 |
|
| 2009 |
Tao J, Tretiak S, Zhu JX. Prediction of excitation energies for conjugated polymers using time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.235110 |
0.384 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes Physica B: Condensed Matter. 404: 3127-3130. DOI: 10.1016/J.Physb.2009.07.063 |
0.555 |
|
| 2008 |
Kilina S, Batista ER, Yang P, Tretiak S, Saxena A, Martin RL, Smith DL. Electronic structure of self-assembled amorphous polyfluorenes. Acs Nano. 2: 1381-8. PMID 19206305 DOI: 10.1021/Nn800204M |
0.737 |
|
| 2008 |
Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. III. Applications. The Journal of Chemical Physics. 129: 174113. PMID 19045339 DOI: 10.1063/1.3005649 |
0.644 |
|
| 2008 |
Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations. The Journal of Chemical Physics. 129: 174112. PMID 19045338 DOI: 10.1063/1.3005648 |
0.596 |
|
| 2008 |
Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. I. Formalism. The Journal of Chemical Physics. 129: 174111. PMID 19045337 DOI: 10.1063/1.3005647 |
0.635 |
|
| 2008 |
Yang P, Tretiak S, Masunov AE, Ivanov S. Quantum chemistry of the minimal CdSe clusters Journal of Chemical Physics. 129. PMID 19044794 DOI: 10.1063/1.2965532 |
0.432 |
|
| 2008 |
Tao J, Tretiak S, Zhu JX. Absorption spectra of blue-light-emitting oligoquinolines from time-dependent density functional theory. The Journal of Physical Chemistry. B. 112: 13701-10. PMID 18844398 DOI: 10.1021/Jp804687J |
0.454 |
|
| 2008 |
Lucero MJ, Niklasson AM, Tretiak S, Challacombe M. Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory. The Journal of Chemical Physics. 129: 064114. PMID 18715058 DOI: 10.1063/1.2965535 |
0.373 |
|
| 2008 |
Kilina S, Tretiak S, Doorn SK, Luo Z, Papadimitrakopoulos F, Piryatinski A, Saxena A, Bishop AR. Cross-polarized excitons in carbon nanotubes. Proceedings of the National Academy of Sciences of the United States of America. 105: 6797-802. PMID 18463293 DOI: 10.1073/Pnas.0711646105 |
0.356 |
|
| 2008 |
Galperin M, Tretiak S. Linear optical response of current-carrying molecular junction: a nonequilibrium Green's function-time-dependent density functional theory approach. The Journal of Chemical Physics. 128: 124705. PMID 18376958 DOI: 10.1063/1.2876011 |
0.345 |
|
| 2008 |
Wu C, Malinin SV, Tretiak S, Chernyak VY. Multiscale modeling of electronic excitations in branched conjugated molecules using an exciton scattering approach. Physical Review Letters. 100: 057405. PMID 18352429 DOI: 10.1103/Physrevlett.100.057405 |
0.633 |
|
| 2008 |
Tao J, Tretiak S, Zhu JX. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies. The Journal of Chemical Physics. 128: 084110. PMID 18315036 DOI: 10.1063/1.2837831 |
0.384 |
|
| 2008 |
Tretiak S, Zhang WM, Chernyak V, Mukamel S. Excitonic couplings and electronic coherence in bridged naphthalene dimers. Proceedings of the National Academy of Sciences of the United States of America. 96: 13003-8. PMID 10557262 DOI: 10.1073/Pnas.96.23.13003 |
0.639 |
|
| 2008 |
Becker K, Da Como E, Feldmann J, Scheliga F, Csányi ET, Tretiak S, Lupton JM. How chromophore shape determines the spectroscopy of phenylene-vinylenes: Origin of spectral broadening in the absence of aggregation Journal of Physical Chemistry B. 112: 4859-4864. DOI: 10.1021/Jp800870P |
0.361 |
|
| 2008 |
Badaeva E, Tretiak S. Two photon absorption of extended substituted phenylenevinylene oligomers: A TDDFT study Chemical Physics Letters. 450: 322-328. DOI: 10.1016/J.Cplett.2007.10.108 |
0.402 |
|
| 2008 |
Piryatinski A, Tretiak S, Chernyak VY. Dynamical variational approach to non-adiabatic electronic structure Chemical Physics. 347: 25-38. DOI: 10.1016/J.Chemphys.2008.01.010 |
0.645 |
|
| 2008 |
Terenziani F, Katan C, Badaeva E, Tretiak S, Blanchard‐Desce M. Inside Front Cover: Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments (Adv. Mater. 24/2008) Advanced Materials. 20. DOI: 10.1002/Adma.200890102 |
0.3 |
|
| 2008 |
Terenziani F, Katan C, Badaeva E, Tretiak S, Blanchara-Desce M. Enhanced two-photon absorption of organic chromophores: Theoretical and experimental assessments Advanced Materials. 20: 4641-4678. DOI: 10.1002/Adma.200800402 |
0.384 |
|
| 2007 |
Magyar RJ, Tretiak S. Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters. Journal of Chemical Theory and Computation. 3: 976-87. PMID 26627417 DOI: 10.1021/Ct600282K |
0.464 |
|
| 2007 |
Igumenshchev KI, Tretiak S, Chernyak VY. Excitonic effects in a time-dependent density functional theory. The Journal of Chemical Physics. 127: 114902. PMID 17887875 DOI: 10.1063/1.2773727 |
0.658 |
|
| 2007 |
Ivanov SA, Piryatinski A, Nanda J, Tretiak S, Zavadil KR, Wallace WO, Werder D, Klimov VI. Type-II core/shell CdS/ZnSe nanocrystals: synthesis, electronic structures, and spectroscopic properties. Journal of the American Chemical Society. 129: 11708-19. PMID 17727285 DOI: 10.1021/Ja068351M |
0.394 |
|
| 2007 |
Katan C, Tretiak S, Werts MH, Bain AJ, Marsh RJ, Leonczek N, Nicolaou N, Badaeva E, Mongin O, Blanchard-Desce M. Two-photon transitions in quadrupolar and branched chromophores: experiment and theory. The Journal of Physical Chemistry. B. 111: 9468-83. PMID 17658741 DOI: 10.1021/Jp071069X |
0.467 |
|
| 2007 |
Tretiak S. Triplet state absorption in carbon nanotubes: a TD-DFT study. Nano Letters. 7: 2201-6. PMID 17497817 DOI: 10.1021/Nl070355H |
0.392 |
|
| 2007 |
Araujo PT, Doorn SK, Kilina S, Tretiak S, Einarsson E, Maruyama S, Chacham H, Pimenta MA, Jorio A. Third and fourth optical transitions in semiconducting carbon nanotubes. Physical Review Letters. 98: 067401. PMID 17358983 DOI: 10.1103/Physrevlett.98.067401 |
0.341 |
|
| 2007 |
Shreve AP, Haroz EH, Bachilo SM, Weisman RB, Tretiak S, Kilina S, Doorn SK. Determination of exciton-phonon coupling elements in single-walled carbon nanotubes by Raman overtone analysis. Physical Review Letters. 98: 037405. PMID 17358727 DOI: 10.1103/Physrevlett.98.037405 |
0.338 |
|
| 2007 |
Piryatinski A, Ivanov SA, Tretiak S, Klimov VI. Effect of quantum and dielectric confinement on the exciton-exciton interaction energy in type II core/shell semiconductor nanocrystals. Nano Letters. 7: 108-15. PMID 17212448 DOI: 10.1021/Nl0622404 |
0.434 |
|
| 2007 |
Tretiak S, Kilina S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Excitons and Peierls distortion in conjugated carbon nanotubes. Nano Letters. 7: 86-92. PMID 17212445 DOI: 10.1021/Nl0622000 |
0.587 |
|
| 2007 |
Yang P, Batista ER, Tretiak S, Saxena A, Martin RL, Smith DL. Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly-p-phenylene vinylene Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.241201 |
0.713 |
|
| 2007 |
Piryatinski A, Tretiak S, Sewell TD, McGrane SD. Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and infrared and Raman linewidths in naphthalene and PETN crystals Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.214306 |
0.344 |
|
| 2007 |
Scholes GD, Tretiak S, McDonald TJ, Metzger WK, Engtrakul C, Rumbles G, Heben MJ. Low-lying exciton states determine the photophysics of semiconducting single wall carbon nanotubes Journal of Physical Chemistry C. 111: 11139-11149. DOI: 10.1021/Jp068541J |
0.385 |
|
| 2007 |
Tang Z, Johal MS, Scudder P, Caculitan N, Magyar RJ, Tretiak S, Wang HL. Study of the non-covalent interactions in Langmuir-Blodgett films: An interplay between π-π and dipole-dipole interactions Thin Solid Films. 516: 58-66. DOI: 10.1016/J.Tsf.2007.04.149 |
0.361 |
|
| 2007 |
Tamulis A, Tsifrinovich VI, Tretiak S, Berman GP, Allara DL. Neutral radical molecules ordered in self-assembled monolayer systems for quantum information processing Chemical Physics Letters. 436: 144-149. DOI: 10.1016/J.Cplett.2007.01.007 |
0.335 |
|
| 2007 |
Wu C, Tretiak S, Chernyak VY. Excited states and optical response of a donor-acceptor substituted polyene: A TD-DFT study Chemical Physics Letters. 433: 305-311. DOI: 10.1016/J.Cplett.2006.11.069 |
0.636 |
|
| 2007 |
Manzoni C, Gambetta A, Cerullo G, Lanzani G, Menna E, Meneghetti M, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real time observation of non-linear coherent phonon dynamics in semiconducting single wall carbon nanotubes Springer Series in Chemical Physics. 88: 695-697. DOI: 10.1007/978-3-540-68781-8-223 |
0.403 |
|
| 2007 |
Kilina S, Tretiak S. Cover Picture: Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes (Adv. Funct. Mater. 17/2007) Advanced Functional Materials. 17. DOI: 10.1002/Adfm.200790058 |
0.463 |
|
| 2007 |
Kilina S, Tretiak S. Excitonic and vibrational properties of single-walled semiconducting carbon nanotubes Advanced Functional Materials. 17: 3405-3420. DOI: 10.1002/Adfm.200700314 |
0.462 |
|
| 2006 |
Tang Z, Hicks RK, Magyar RJ, Tretiak S, Gao Y, Wang HL. Synthesis and characterization of amphiphilic phenylene ethynylene oligomers and their Langmuir-Blodgett films. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 8813-20. PMID 17014122 DOI: 10.1021/La060914K |
0.398 |
|
| 2006 |
Kauffman JF, Turner JM, Alabugin IV, Breiner B, Kovalenko SV, Badaeva EA, Masunov A, Tretiak S. Two-photon excitation of substituted enediynes. The Journal of Physical Chemistry. A. 110: 241-51. PMID 16392861 DOI: 10.1021/Jp056127Y |
0.406 |
|
| 2006 |
Nanda J, Ivanov SA, Htoon H, Bezel I, Piryatinski A, Tretiak S, Klimov VI. Absorption cross sections and Auger recombination lifetimes in inverted core-shell nanocrystals: Implications for lasing performance Journal of Applied Physics. 99. DOI: 10.1063/1.2168032 |
0.338 |
|
| 2006 |
Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering and localization in branched dendrimeric structures Nature Physics. 2: 631-635. DOI: 10.1038/Nphys389 |
0.641 |
|
| 2006 |
Gambetta A, Manzoni C, Menna E, Meneghetti M, Cerullo G, Lanzani G, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real-time observation of nonlinear coherent phonon dynamics in single-walled carbon nanotubes Nature Physics. 2: 515-520. DOI: 10.1038/Nphys345 |
0.549 |
|
| 2005 |
Badaeva EA, Timofeeva TV, Masunov A, Tretiak S. Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: a TD-DFT study. The Journal of Physical Chemistry. A. 109: 7276-84. PMID 16834093 DOI: 10.1021/Jp0521510 |
0.452 |
|
| 2005 |
Katan C, Terenziani F, Mongin O, Werts MH, Porrès L, Pons T, Mertz J, Tretiak S, Blanchard-Desce M. Effects of (multi)branching of dipolar chromophores on photophysical properties and two-photon absorption. The Journal of Physical Chemistry. A. 109: 3024-37. PMID 16833626 DOI: 10.1021/Jp044193E |
0.461 |
|
| 2005 |
Piryatinski A, Stepanov M, Tretiak S, Chernyak V. Semiclassical scattering on conical intersections. Physical Review Letters. 95: 223001. PMID 16384213 DOI: 10.1103/Physrevlett.95.223001 |
0.529 |
|
| 2005 |
Masunov A, Tretiak S, Hong JW, Liu B, Bazan GC. Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores. The Journal of Chemical Physics. 122: 224505. PMID 15974689 DOI: 10.1063/1.1878732 |
0.443 |
|
| 2005 |
Katan C, Terenziani F, Droumaguet CL, Mongin O, Werts MHV, Tretiak S, Blanchard-Desce M. Branching of dipolar chromophores: Effects on linear and nonlinear optical properties Proceedings of Spie - the International Society For Optical Engineering. 5935: 1-15. DOI: 10.1117/12.618464 |
0.446 |
|
| 2005 |
Tretiak S, Igumenshchev K, Chernyak V. Exciton sizes of conducting polymers predicted by time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.033201 |
0.604 |
|
| 2005 |
Magyar RJ, Tretiak S, Gao Y, Wang HL, Shreve AP. A joint theoretical and experimental study of phenylene-acetylene molecular wires Chemical Physics Letters. 401: 149-156. DOI: 10.1016/J.Cplett.2004.10.155 |
0.448 |
|
| 2004 |
Franco I, Tretiak S. Electron-vibrational dynamics of photoexcited polyfluorenes. Journal of the American Chemical Society. 126: 12130-40. PMID 15382949 DOI: 10.1021/Ja0489285 |
0.48 |
|
| 2004 |
Bartholomew GP, Rumi M, Pond SJ, Perry JW, Tretiak S, Bazan GC. Two-photon absorption in three-dimensional chromophores based on [2.2]-paracyclophane. Journal of the American Chemical Society. 126: 11529-42. PMID 15366899 DOI: 10.1021/Ja038743I |
0.336 |
|
| 2004 |
Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. On the existence of photoexcited breathers in conducting polymers Physical Review B - Condensed Matter and Materials Physics. 70: 1-4. DOI: 10.1103/Physrevb.70.233203 |
0.386 |
|
| 2004 |
Piryatinski A, Tretiak S, Fenimore PW, Saxena A, Martin RL, Bishop AR. Three-pulse photon-echo spectroscopy as a probe of the photoexcited electronic state manifold in coupled electron-phonon systems [24] Physical Review B - Condensed Matter and Materials Physics. 70: 1-4. DOI: 10.1103/Physrevb.70.161404 |
0.458 |
|
| 2004 |
Ivanov SA, Nanda J, Piryatinski A, Achermann M, Balet LP, Bezel IV, Anikeeva PO, Tretiak S, Klimov VI. Light amplification using inverted core/shell nanocrystals: Towards lasing in the single-exciton regime Journal of Physical Chemistry B. 108: 10625-10630. DOI: 10.1021/Jp0483371 |
0.437 |
|
| 2004 |
Masunov A, Tretiak S. Prediction of two-photon absorption properties for organic chromophores using time-dependent density-functional theory Journal of Physical Chemistry B. 108: 899-907. DOI: 10.1021/Jp036513K |
0.391 |
|
| 2004 |
Kobko N, Masunov A, Tretiak S. Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory Chemical Physics Letters. 392: 444-451. DOI: 10.1016/J.Cplett.2004.05.078 |
0.365 |
|
| 2003 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Photoexcited breathers in conjugated polyenes: an excited-state molecular dynamics study. Proceedings of the National Academy of Sciences of the United States of America. 100: 2185-90. PMID 12594339 DOI: 10.1073/Pnas.0530132100 |
0.643 |
|
| 2003 |
Tretiak S, Chernyak V. Resonant nonlinear polarizabilities in the time-dependent density functional theory Journal of Chemical Physics. 119: 8809-8823. DOI: 10.1063/1.1614240 |
0.581 |
|
| 2003 |
Franco I, Tretiak S. Electron-vibrational relaxation of photoexcited polyfluorenes in the presence of chemical defects: A theoretical study Chemical Physics Letters. 372: 403-408. DOI: 10.1016/S0009-2614(03)00419-6 |
0.443 |
|
| 2003 |
Moran AM, Myers Kelley A, Tretiak S. Excited state molecular dynamics simulations of nonlinear push-pull chromophores Chemical Physics Letters. 367: 293-307. DOI: 10.1016/S0009-2614(02)01583-X |
0.435 |
|
| 2002 |
Tretiak S, Mukamel S. Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules. Chemical Reviews. 102: 3171-212. PMID 12222985 DOI: 10.1021/Cr0101252 |
0.379 |
|
| 2002 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Conformational dynamics of photoexcited conjugated molecules. Physical Review Letters. 89: 097402. PMID 12190437 DOI: 10.1103/Physrevlett.89.097402 |
0.574 |
|
| 2002 |
Crooker SA, Hollingsworth JA, Tretiak S, Klimov VI. Spectrally resolved dynamics of energy transfer in quantum-dot assemblies: Towards engineered energy flows in artificial materials Physical Review Letters. 89: 186802/1-186802/4. DOI: 10.1103/Physrevlett.89.186802 |
0.362 |
|
| 2002 |
Campbell IH, Smith DL, Tretiak S, Martin RL, Neef CJ, Ferraris JP. Excitation transfer processes in a phosphor-doped poly(p-phenylene vinylene) light-emitting diode Physical Review B - Condensed Matter and Materials Physics. 65: 852101-852108. DOI: 10.1103/Physrevb.65.085210 |
0.429 |
|
| 2002 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Geometry relaxation of photoexcited states in conjugated molecules Phase Transitions. 75: 925-932. DOI: 10.1080/01411590290033831 |
0.599 |
|
| 2002 |
Nguyen KA, Day PN, Pachter R, Tretiak S, Chernyak V, Mukamel S. Analysis of absorption spectra of zinc porphyrin, zinc meso-tetraphenylporphyrin, and halogenated derivatives Journal of Physical Chemistry A. 106: 10285-10293. DOI: 10.1021/Jp020053Y |
0.316 |
|
| 2001 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules Journal of Chemical Physics. 115: 699-707. DOI: 10.1063/1.1377035 |
0.553 |
|
| 2001 |
Ern J, Bens AT, Martin HD, Mukamel S, Tretiak S, Tsyganenko K, Kuldova K, Trommsdorff HP, Kryschi C. Reaction dynamics of a photochromic fluorescing dithienylethene Journal of Physical Chemistry A. 105: 1741-1749. DOI: 10.1021/Jp0031956 |
0.326 |
|
| 2000 |
Chernyak V, Schulz MF, Mukamel S, Tretiak S, Tsiper EV. Krylov-space algorithms for time-dependent Hartree-Fock and density functional computations Journal of Chemical Physics. 113: 36-43. DOI: 10.1063/1.481770 |
0.568 |
|
| 2000 |
Tretiak S, Middleton C, Chernyak V, Mukamel S. Exciton Hamiltonian for the Bacteriochlorophyll System in the LH2 Antenna Complex of Purple Bacteria The Journal of Physical Chemistry B. 104: 4519-4528. DOI: 10.1021/Jp9939930 |
0.614 |
|
| 2000 |
Tretiak S, Middleton C, Chernyak V, Mukamel S. Bacteriochlorophyll and Carotenoid Excitonic Couplings in the LH2 System of Purple Bacteria The Journal of Physical Chemistry B. 104: 9540-9553. DOI: 10.1021/Jp001585M |
0.607 |
|
| 2000 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Interchain Electronic Excitations in Poly(phenylenevinylene) (PPV) Aggregates The Journal of Physical Chemistry B. 104: 7029-7037. DOI: 10.1021/Jp000397T |
0.451 |
|
| 2000 |
Schulz M, Tretiak S, Chernyak V, Mukamel S. Size Scaling of Third-Order Off-Resonant Polarizabilities. Electronic Coherence in Organic Oligomers Journal of the American Chemical Society. 122: 452-459. DOI: 10.1021/Ja991074H |
0.371 |
|
| 2000 |
Ern J, Bens A, Martin H-, Mukamel S, Schmid D, Tretiak S, Tsiper E, Kryschi C. Femtosecond reaction dynamics of a photochromic dithienylethene derivative Journal of Luminescence. 87: 742-744. DOI: 10.1016/S0022-2313(99)00382-8 |
0.356 |
|
| 2000 |
Minami T, Tretiak S, Chernyak V, Mukamel S. Frenkel-exciton Hamiltonian for dendrimeric nanostar Journal of Luminescence. 87: 115-118. DOI: 10.1016/S0022-2313(99)00242-2 |
0.402 |
|
| 2000 |
Tretiak S, Saxena A, Martin RL, Bishop AR. CEO/semiempirical calculations of UV–visible spectra in conjugated molecules Chemical Physics Letters. 331: 561-568. DOI: 10.1016/S0009-2614(00)01009-5 |
0.462 |
|
| 2000 |
Chernyak V, Tretiak S, Mukamel S. Electronic versus vibrational optical nonlinearities of push-pull polymers Chemical Physics Letters. 319: 261-264. DOI: 10.1016/S0009-2614(00)00115-9 |
0.608 |
|
| 2000 |
Piryatinski A, Tretiak S, Chernyak V, Mukamel S. Simulations of two-dimensional femtosecond infrared photon echoes of glycine dipeptide Journal of Raman Spectroscopy. 31: 125-135. DOI: 10.1002/(Sici)1097-4555(200001/02)31:1/2<125::Aid-Jrs503>3.0.Co;2-O |
0.557 |
|
| 2000 |
Tretiak S, Saxena A, Martin RL, Bishop AR. CEO/semiempirical calculations of UV-visible spectra in conjugated molecules Chemical Physics Letters. 331: 561-568. |
0.35 |
|
| 1999 |
Chernyak V, Poliakov EY, Tretiak S, Mukamel S. Two-exciton states and spectroscopy of phenylacetylene dendrimers The Journal of Chemical Physics. 111: 4158-4168. DOI: 10.1063/1.479714 |
0.623 |
|
| 1999 |
Tsiper EV, Chernyak V, Tretiak S, Mukamel S. Density-matrix-spectroscopic algorithm for excited-state adiabatic surfaces and molecular dynamics of a protonated Schiff base The Journal of Chemical Physics. 110: 8328-8337. DOI: 10.1063/1.478743 |
0.641 |
|
| 1999 |
Poliakov EY, Chernyak V, Tretiak S, Mukamel S. Exciton-scaling and optical excitations of self-similar phenylacetylene dendrimers The Journal of Chemical Physics. 110: 8161-8175. DOI: 10.1063/1.478730 |
0.594 |
|
| 1999 |
Ern J, Bens A, Martin H, Mukamel S, Schmid D, Tretiak S, Tsiper E, Kryschi C. Reaction dynamics of photochromic dithienylethene derivatives Chemical Physics. 246: 115-125. DOI: 10.1016/S0301-0104(99)00183-4 |
0.37 |
|
| 1999 |
Tretiak S, Chernyak V, Mukamel S. Electronic screening in second order optical polarizabilities of elongated Donor/Acceptor polyenes Chemical Physics. 245: 145-163. DOI: 10.1016/S0301-0104(99)00129-9 |
0.566 |
|
| 1999 |
Tsiper E, Chernyak V, Tretiak S, Mukamel S. Ground-state density-matrix algorithm for excited-state adiabatic surfaces: application to polyenes Chemical Physics Letters. 302: 77-84. DOI: 10.1016/S0009-2614(99)00025-1 |
0.618 |
|
| 1998 |
Chernyak V, Poliakov EY, Tretiak S, Mukamel S. Localized Optical Excitations and Two-Exciton Spectroscopy of Phenylacetylene Dendrimers Mrs Proceedings. 543. DOI: 10.1557/Proc-543-327 |
0.604 |
|
| 1998 |
Tretiak S, Chernyak V, Mukamel S. Localized Electronic Excitations in Phenylacetylene Dendrimers The Journal of Physical Chemistry B. 102: 3310-3315. DOI: 10.1021/Jp980745F |
0.617 |
|
| 1998 |
Tretiak S, Chernyak V, Mukamel S. Real-space analysis of electronic excitations in free-base (H2P) and magnesium (MgP) porphins Chemical Physics Letters. 297: 357-364. DOI: 10.1016/S0009-2614(98)01110-5 |
0.625 |
|
| 1998 |
Tretiak S, Chernyak V, Mukamel S. Origin, scaling, and saturation of second order polarizabilities in donor/acceptor polyenes Chemical Physics Letters. 287: 75-82. DOI: 10.1016/S0009-2614(98)00156-0 |
0.574 |
|
| 1998 |
Tretiak S, Chernyak V, Mukamel S. Excited electronic states of carotenoids: Time-dependent density-matrix-response algorithm International Journal of Quantum Chemistry. 70: 711-727. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<711::Aid-Qua17>3.0.Co;2-4 |
0.632 |
|
| 1997 |
Meier T, Tretiak S, Chernyak V, Mukamel S. Electronic-oscillator analysis of femtosecond four-wave mixing in conjugated polyenes Physical Review B. 55: 4960-4977. DOI: 10.1103/Physrevb.55.4960 |
0.573 |
|
| 1997 |
Tretiak S, Chernyak V, Mukamel S. Two-Dimensional Real-Space Analysis of Optical Excitations in Acceptor-Substituted Carotenoids Journal of the American Chemical Society. 119: 11408-11419. DOI: 10.1021/Ja9720164 |
0.617 |
|
| 1996 |
Tretiak S, Chernyak V, Mukamel S. Recursive density‐matrix‐spectral‐moment algorithm for molecular nonlinear polarizabilities The Journal of Chemical Physics. 105: 8914-8928. DOI: 10.1063/1.472621 |
0.573 |
|
| 1996 |
Tretiak S, Chernyak V, Mukamel S. Collective electronic oscillators for nonlinear optical response of conjugated molecules Chemical Physics Letters. 259: 55-61. DOI: 10.1016/0009-2614(96)00790-7 |
0.598 |
|
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