Lei Fang - Related publications

Affiliations: 
2005 Yale University, New Haven, CT 
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50 most relevant papers in past 60 days:
Year Citation  Score
2018 Wen CHP, Xu HC, Yao Q, Peng R, Niu XH, Chen QY, Liu ZT, Shen DW, Song Q, Lou X, Fang YF, Liu XS, Song YH, Jiao YJ, Duan TF, et al. Unveiling the Superconducting Mechanism of Ba_{0.51}K_{0.49}BiO_{3}. Physical Review Letters. 121: 117002. PMID 30265111 DOI: 10.1103/PhysRevLett.121.117002   
2018 Behera SK, Deb P. PAW-mediated ab initio simulations on linear response phonon dynamics of anisotropic black phosphorous monolayer for thermoelectric applications. Physical Chemistry Chemical Physics : Pccp. PMID 30320849 DOI: 10.1039/c8cp04684k   
2018 Ibarra-Hernández W, Hajinazar S, Avendaño-Franco G, Bautista-Hernández A, Kolmogorov AN, Romero AH. Structural search for stable Mg-Ca alloys accelerated with a neural network interatomic model. Physical Chemistry Chemical Physics : Pccp. PMID 30371696 DOI: 10.1039/c8cp05314f   
2018 Milot RL, Klug MT, Davies CL, Wang Z, Kraus H, Snaith HJ, Johnston MB, Herz LM. The Effects of Doping Density and Temperature on the Optoelectronic Properties of Formamidinium Tin Triiodide Thin Films. Advanced Materials (Deerfield Beach, Fla.). e1804506. PMID 30222220 DOI: 10.1002/adma.201804506   
2018 Mo MZ, Becker V, Ofori-Okai BK, Shen X, Chen Z, Witte B, Redmer R, Li RK, Dunning M, Weathersby SP, Wang XJ, Glenzer SH. Determination of the electron-lattice coupling strength of copper with ultrafast MeV electron diffraction. The Review of Scientific Instruments. 89: 10C108. PMID 30399817 DOI: 10.1063/1.5035368   
2018 Wu J, Ning H, Ma L, Ren W. Pressure-dependent kinetics of methyl formate reactions with OH at combustion, atmospheric and interstellar temperatures. Physical Chemistry Chemical Physics : Pccp. PMID 30311927 DOI: 10.1039/c8cp04114h   
2018 Prieur D, Epifano E, Dardenne K, Rothe J, Hennig C, Scheinost AC, Neuville DR, Martin PM. Peculiar Thermal Behavior of UO Local Stucture. Inorganic Chemistry. PMID 30411877 DOI: 10.1021/acs.inorgchem.8b02657   
2018 Rasukkannu M, Velauthapillai D, Bianchini F, Vajeeston P. Properties of Novel Non-Silicon Materials for Photovoltaic Applications: A First-Principle Insight. Materials (Basel, Switzerland). 11. PMID 30336564 DOI: 10.3390/ma11102006   
2018 Niklaus R, Neudert L, Stahl J, Schmidt PJ, Schnick W. Orange-Emitting LiSr[SiON]O:Eu-a Layered Lithium Oxonitridosilicate Oxide. Inorganic Chemistry. PMID 30398336 DOI: 10.1021/acs.inorgchem.8b02391   
2018 Liu Z, Zhang S, Hu D, Zhang Y, Lv H, Liu C, Chen Y, Sun J. Paraffin/red mud phase change energy storage composite incorporated gypsum-based and cement-based materials: Microstructures, thermal and mechanical properties. Journal of Hazardous Materials. 364: 608-620. PMID 30391851 DOI: 10.1016/j.jhazmat.2018.10.061   
2018 Fan Q, Niu R, Zhang W, Zhang W, Ding Y, Yun S. t-Si64: a novel Si allotrope. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30397996 DOI: 10.1002/cphc.201800903   
2018 Oliver A, Hunter CA, Prohens R, Rosselló JL. An improved methodology to compute surface site interaction points using high density molecular electrostatic potential surfaces. Journal of Computational Chemistry. PMID 30351455 DOI: 10.1002/jcc.25574   
2018 Müller P, Karhan K, Krack M, Gerstmann U, Schmidt WG, Bauer M, Kühne TD. Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. Journal of Computational Chemistry. PMID 30306614 DOI: 10.1002/jcc.25641   
2018 Oka D, Hirose Y, Kaneko M, Nakao S, Fukumura T, Yamashita K, Hasegawa T. Anion-Substitution-Induced Non-Rigid Variation of Band Structure in SrNbON (0 ≤ x ≤ 1) Epitaxial Thin Films. Acs Applied Materials & Interfaces. PMID 30221926 DOI: 10.1021/acsami.8b08577   
2018 Haiduke RLA, Bartlett RJ. Communication: Can excitation energies be obtained from orbital energies in a correlated orbital theory? The Journal of Chemical Physics. 149: 131101. PMID 30292196 DOI: 10.1063/1.5052442   
2018 Zhai K, Schindler T, Ottaviano A, Zhang H, Fallah D, Wells J, Parke E, Thompson MC, . Thomson scattering systems on C-2W field-reversed configuration plasma experiment. The Review of Scientific Instruments. 89: 10C118. PMID 30399708 DOI: 10.1063/1.5037327   
2018 Rocco SVR, Banasek JT, Potter WM, Hammer DA. Time-resolved and multiple-angle Thomson scattering on gas-puff Z-Pinch plasmas at pinch time. The Review of Scientific Instruments. 89: 10C117. PMID 30399969 DOI: 10.1063/1.5038879   
2018 Luo Y, Hau CK, Yeung YY, Wong KL, Shiu KK, Tanner PA. Massive Stokes shift in 12-coordinate Ce(NO2): crystal structure, vibrational and electronic spectra. Scientific Reports. 8: 16557. PMID 30409997 DOI: 10.1038/s41598-018-34889-4   
2018 Yuan P, Wang R, Wang T, Wang X, Xie Y. Nonmonotonic thickness-dependence of in-plane thermal conductivity of few-layered MoS: 2.4 to 37.8 nm. Physical Chemistry Chemical Physics : Pccp. PMID 30283921 DOI: 10.1039/c8cp02858c   
2018 Abraham NS, Shirts MR. A Thermal Gradient Approach for the Quasi-Harmonic Approximation and its Application to Improved Treatment of Anisotropic Expansion. Journal of Chemical Theory and Computation. PMID 30281302 DOI: 10.1021/acs.jctc.8b00460   
2018 Kang F, Sun G, Wang A, Xiao X, Li YY, Lu J, Huang B. Multicolor Tuning and Temperature-Triggered Anomalous Eu3+-related Photoemission Enhancement via Interplay of Accelerated Energy Transfer and Release of Defect-Trapped Electrons in the Tb3+, Eu3+ doped Strontium-Aluminum Chlorites. Acs Applied Materials & Interfaces. PMID 30256084 DOI: 10.1021/acsami.8b13728   
2018 Sausa RC, Batyrev IG, Pesce-Rodriguez RA, Byrd EFC. Density Functional Theory and Experimental Studies of the Molecular, Vibrational, and Crystal Structure of Bis-Oxadiazole-Bis-Methylene Dinitrate (BODN). The Journal of Physical Chemistry. A. PMID 30372616 DOI: 10.1021/acs.jpca.8b08767   
2018 LeBlanc LM, Weatherby JA, Otero-de-la-Roza A, Johnson ER. Non-Covalent Interactions in Molecular Crystals: Exploring the Accuracy of the Exchange-Hole Dipole Moment Model with Local Orbitals. Journal of Chemical Theory and Computation. PMID 30351005 DOI: 10.1021/acs.jctc.8b00797   
2018 LeFevre HJ, Ma K, Belancourt PX, MacDonald MJ, Döppner T, Huntington CM, Johnsen E, Keiter PA, Kuranz CC. A platform for x-ray Thomson scattering measurements of radiation hydrodynamics experiments on the NIF. The Review of Scientific Instruments. 89: 10F105. PMID 30399938 DOI: 10.1063/1.5039392   
2018 Huerta-Aguilar CA, Palos-Barba V, Thangarasu P, Koodali RT. Visible light driven photo-degradation of Congo red by TiOZnO/Ag: DFT approach on synergetic effect on band gap energy. Chemosphere. 213: 481-497. PMID 30245225 DOI: 10.1016/j.chemosphere.2018.09.053   
2018 Wang Y, Kong M, Khan M, Zhang J, Lin C, Zeng Y. Determining E and E values for yttrium aluminum garnet ceramics using the Duane-Hunt limit. Microscopy Research and Technique. PMID 30365200 DOI: 10.1002/jemt.23118   
2018 Zainuri DA, Razak IA, Arshad S. Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones. Acta Crystallographica. Section E, Crystallographic Communications. 74: 1427-1432. PMID 30319794 DOI: 10.1107/S2056989018012641   
2018 Woodford OJ, Ziessel R, Harriman A, Wills C, Alsimaree AA, Knight JG. Optical spectroscopic properties recorded for simple BOPHY dyes in condensed media: The mirror-symmetry factor. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 208: 57-64. PMID 30292151 DOI: 10.1016/j.saa.2018.09.047   
2018 Liu S, Yin Y, Wu M, Hui KS, Hui KN, Ouyang CY, Jun SC. Phosphorus-Mediated MoS Nanowires as a High-Performance Electrode Material for Quasi-Solid-State Sodium-Ion Intercalation Supercapacitors. Small (Weinheim An Der Bergstrasse, Germany). e1803984. PMID 30427569 DOI: 10.1002/smll.201803984   
2018 Stoecklin T, Halvick P, Lara-Moreno M, Trabelsi T, Hochlaf M. On the gas-phase formation of the HCO anion: accurate quantum study of the H + CO radiative association and HCO radiative electron attachment. Faraday Discussions. PMID 30234209 DOI: 10.1039/c8fd00103k   
2018 Mai TV, Duong MV, Nguyen HT, Huynh LK. Detailed kinetics of tetrafluoroethene ozonolysis. Physical Chemistry Chemical Physics : Pccp. PMID 30383046 DOI: 10.1039/c8cp05386c   
2018 Wang S, Chen L, Wu Y, Zhang Q. High HER Activity and Conductivity of MXene Ti2CO2 by Surficial Modification with Phosphor or Vacancies: A Computational Research. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30335229 DOI: 10.1002/cphc.201800899   
2018 White AF, Chan GK. A time-dependent formulation of coupled cluster theory for many-fermion systems at finite temperature. Journal of Chemical Theory and Computation. PMID 30260642 DOI: 10.1021/acs.jctc.8b00773   
2018 Koner D, Bemish RJ, Meuwly M. The C(P) + NO(XΠ) O(P) + CN(XΣ), N(D)/N(S) + CO(XΣ) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K. The Journal of Chemical Physics. 149: 094305. PMID 30195287 DOI: 10.1063/1.5046906   
2018 Li J, Ding J, Cao Y, Zhou X, Ma B, Zhao Z, Wang Y. Color-tunable phosphor [Mg1.25Si1.25Al2.5]O3N3:Eu2+ - A new modified polymorph of AlON with double sites related luminescence and low thermal quenching. Acs Applied Materials & Interfaces. PMID 30288972 DOI: 10.1021/acsami.8b15249   
2018 Wong ZM, Tan TL, Yang SW, Xu GQ. Optimizing special quasirandom structure (SQS) models for accurate functional property prediction in disordered 2D alloys. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 30: 485402. PMID 30406769 DOI: 10.1088/1361-648X/aae764   
2018 Duan J, Qin G, Min L, Yang Y, Wang C. UV Irradiation Treatment for Enhanced Sodium Storage Performance Based on Wide-Interlayer-Spacing Hollow C@MoS2@CN Nanospheres. Acs Applied Materials & Interfaces. PMID 30289238 DOI: 10.1021/acsami.8b13570   
2018 Ghahremanpour MM, van Maaren PJ, Caleman C, Hutchison GR, van der Spoel D. Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields. Journal of Chemical Theory and Computation. PMID 30281307 DOI: 10.1021/acs.jctc.8b00430   
2018 Li J, Ding J, Ma B, Zhao Z, Wang Y. Design and research of a self-activated orange magnesium boron nitride phosphor with its application in W-LEDs. Dalton Transactions (Cambridge, England : 2003). PMID 30328450 DOI: 10.1039/c8dt03438a   
2018 Miranda JRS, de Castro AJR, da Silva Filho JG, Freire PTC, Pinheiro GS, Moreira SGC, Saraiva GD, de Sousa FF. Phase transformation in the C form of myristic-acid crystals and DFT calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 208: 97-108. PMID 30296674 DOI: 10.1016/j.saa.2018.09.065   
2018 Stefanou M, Chandler HJ, Mignolet B, Williams E, Nanoh SA, Thompson JOF, Remacle F, Schaub R, Campbell EEB. Angle-resolved photoelectron spectroscopy and scanning tunnelling spectroscopy studies of the endohedral fullerene Li@C. Nanoscale. PMID 30357213 DOI: 10.1039/c8nr07088a   
2018 Qi SY, Tian Y, Zou WB, Hu CQ. Characterization of Solid-State Drug Polymorphs and Real-Time Evaluation of Crystallization Process Consistency by Near-Infrared Spectroscopy. Frontiers in Chemistry. 6: 506. PMID 30406084 DOI: 10.3389/fchem.2018.00506   
2018 Bačić Z, Vlček V, Neuhauser D, Felker PM. Effects of symmetry breaking on the translation-rotation eigenstates of H, HF, and HO inside the fullerene C. Faraday Discussions. PMID 30226507 DOI: 10.1039/c8fd00082d   
2018 Mendes M, Souza Barbosa A, da Silva FF, Jones NC, Hoffmann SV, Garcia G, Bettega MHF, Limao-Vieira P. Probing the Lowest-Lying Electronic States of Acrylic Acid by Experimental and Theoretical Methods. The Journal of Physical Chemistry. A. PMID 30231614 DOI: 10.1021/acs.jpca.8b06626   
2018 Leclaire NA, Li M, Véron AC, Neels A, Heier J, Reimers JR, Nüesch FA. Cyanine platelet single crystals: growth, crystal structure and optical spectra. Physical Chemistry Chemical Physics : Pccp. PMID 30426991 DOI: 10.1039/c8cp06034g   
2018 Rousso AC, Hansen N, Jasper AW, Ju Y. Low-Temperature Oxidation of Ethylene by Ozone in a Jet-Stirred Reactor. The Journal of Physical Chemistry. A. PMID 30293425 DOI: 10.1021/acs.jpca.8b06556   
2018 Nelson T, Cochran AL, Western CM. Rotational Temperature Modeling of the Swan Δν = 0 Band Sequence in Comet 122P/de Vico. The Journal of Physical Chemistry. A. PMID 30220209 DOI: 10.1021/acs.jpca.8b07441   
2018 Bennett MC, Wang G, Annaberdiyev A, Melton CA, Shulenburger L, Mitas L. A new generation of effective core potentials from correlated calculations: 2nd row elements. The Journal of Chemical Physics. 149: 104108. PMID 30219005 DOI: 10.1063/1.5038135   
2018 Stoliaroff A, Jobic S, Latouche C. PyDEF 2.0: An Easy to Use Post-treatment Software for Publishable Charts Featuring a Graphical User Interface. Journal of Computational Chemistry. PMID 30284311 DOI: 10.1002/jcc.25543   
2018 Wang F, Zhao D, Jiang L, Song J, Liu Y. THz vibrational spectroscopy for RNA basepair cocrystals and oligonucleotide sequences. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 209: 49-54. PMID 30343109 DOI: 10.1016/j.saa.2018.10.023