Year |
Citation |
Score |
2020 |
Feng S, Wang YC, Ke Y, Liang W, Zhao Y. Effect of charge-transfer states on the vibrationally resolved absorption spectra and exciton dynamics in ZnPc aggregates: Simulations from a non-Makovian stochastic Schrödinger equation. The Journal of Chemical Physics. 153: 034116. PMID 32716176 DOI: 10.1063/5.0013935 |
0.308 |
|
2020 |
Piontkowski Z, Wang Y, Liu Y, Zhao Y, McCamant DW. Electron Transfer in Rhodamine–TiO2 Complexes Studied as a Function of Chalcogen and Bridge Substitution The Journal of Physical Chemistry C. 124: 2851-2863. DOI: 10.1021/Acs.Jpcc.9B11049 |
0.341 |
|
2016 |
Zhao H, Wang W, Zhao Y. Thermal Rate Constants for the O((3)P)+CH4→OH+CH3 Reaction: The Effects of Quantum Tunneling and Potential Energy Barrier Shape. The Journal of Physical Chemistry. A. PMID 27640428 DOI: 10.1021/Acs.Jpca.6B07029 |
0.307 |
|
2016 |
Ke Y, Zhao Y. Hierarchy of forward-backward stochastic Schrödinger equation. The Journal of Chemical Physics. 145: 024101. PMID 27421391 DOI: 10.1063/1.4955107 |
0.305 |
|
2016 |
Zang H, Ke Y, Zhao Y, Liang W. Effects of Charge Transfer State and Exciton Migration on Singlet Fission Dynamics in Organic Aggregates Journal of Physical Chemistry C. 120: 13351-13359. DOI: 10.1021/Acs.Jpcc.6B02943 |
0.311 |
|
2016 |
Wu WP, Deng LL, Li X, Zhao Y. Theoretical insight into the stereometric effect of bisPC71BM on polymer cell performance Science Bulletin. 1-9. DOI: 10.1007/S11434-015-0984-8 |
0.32 |
|
2015 |
Ye C, Zhao Y, Liang W. Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation. The Journal of Chemical Physics. 143: 154105. PMID 26493895 DOI: 10.1063/1.4933374 |
0.301 |
|
2015 |
Si Y, Yang B, Qin H, Yuan J, Wang S, Chen H, Zhao Y. Atomistic Modeling of Triplet–Triplet Energy-Transfer Rates from Drug (S)-Propranolol to (R)-Cinacalcet in Human α1-Acid Glycoprotein Journal of Physical Chemistry C. 119: 8014-8022. DOI: 10.1021/Jp512844Q |
0.322 |
|
2015 |
Han L, Ke Y, Zhong X, Zhao Y. Time-dependent wavepacket diffusion method and its applications in organic semiconductors International Journal of Quantum Chemistry. 115: 578-588. DOI: 10.1002/Qua.24833 |
0.308 |
|
2014 |
Han L, Zhong X, Liang W, Zhao Y. Energy relaxation and separation of a hot electron-hole pair in organic aggregates from a time-dependent wavepacket diffusion method. The Journal of Chemical Physics. 140: 214107. PMID 24907990 DOI: 10.1063/1.4879955 |
0.327 |
|
2014 |
Ma H, Zhao Y, Liang W. Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach. The Journal of Chemical Physics. 140: 094107. PMID 24606353 DOI: 10.1063/1.4867273 |
0.305 |
|
2014 |
Leng C, Qin H, Si Y, Zhao Y. Theoretical prediction of the rate constants for exciton dissociation and charge recombination to a triplet state in pcpdtbt with different fullerene derivatives Journal of Physical Chemistry C. 118: 1843-1855. DOI: 10.1021/Jp410562U |
0.333 |
|
2013 |
Zhong X, Zhao Y. Non-Markovian stochastic Schrödinger equation at finite temperatures for charge carrier dynamics in organic crystals. Journal of Chemical Physics. 138: 14111-14111. PMID 23298032 DOI: 10.1063/1.4773319 |
0.324 |
|
2012 |
Yang J, Zhang W, Si Y, Zhao Y. Intramolecular electronic couplings in class II/III organic mixed-valence systems of bis(1,4-dimethoxybenzene). Journal of Physical Chemistry B. 116: 14126-14135. PMID 23145540 DOI: 10.1021/Jp308242S |
0.307 |
|
2012 |
Zhang W, Zhong X, Zhao Y. Electron mobilities of n-type organic semiconductors from time-dependent wavepacket diffusion method: Pentacenequinone derivatives Journal of Physical Chemistry A. 116: 11075-11082. PMID 22483224 DOI: 10.1021/Jp3023474 |
0.339 |
|
2012 |
Wu W, Cao Z, Zhao Y. Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers Journal of Chemical Physics. 136: 114305-114305. PMID 22443762 DOI: 10.1063/1.3693264 |
0.309 |
|
2012 |
Zhao Y, Liang W. Charge transfer in organic molecules for solar cells: theoretical perspective. Chemical Society Reviews. 41: 1075-87. PMID 22105355 DOI: 10.1039/C1Cs15207F |
0.338 |
|
2012 |
Si Y, Liang W, Zhao Y. Theoretical prediction of triplet-triplet energy transfer rates in a benzophenone-fluorene-naphthalene system Journal of Physical Chemistry C. 116: 12499-12507. DOI: 10.1021/Jp303705D |
0.345 |
|
2011 |
Zhao Y, Liang W. Theoretical investigation of resonance Raman scattering of dye molecules absorbed on semiconductor surfaces. The Journal of Chemical Physics. 135: 044108. PMID 21806091 DOI: 10.1063/1.3615057 |
0.317 |
|
2011 |
Qin H, Zhong X, Si Y, Zhang W, Zhao Y. Effect of group electronegativity on electron transfer in bis(hydrazine) radical cations. Journal of Physical Chemistry A. 115: 3116-3121. PMID 21413730 DOI: 10.1021/Jp110724F |
0.322 |
|
2011 |
Si Y, Zhong X, Zhang W, Zhao Y. Theoretical Investigation on Triplet Excitation Energy Transfer in Fluorene Dimer Chinese Journal of Chemical Physics. 24: 538-546. DOI: 10.1088/1674-0068/24/05/538-546 |
0.348 |
|
2011 |
Zhang W, Zhao Y, Liang W. Theoretical investigation of the non-Condon effect on electron transfer: Application to organic semiconductor Science China-Chemistry. 54: 707-714. DOI: 10.1007/S11426-011-4255-5 |
0.343 |
|
2010 |
Zhang W, Liang W, Zhao Y. Non-Condon effect on charge transport in dithiophene-tetrathiafulvalene crystal. The Journal of Chemical Physics. 133: 024501. PMID 20632757 DOI: 10.1063/1.3456545 |
0.337 |
|
2009 |
Telo JP, Nelsen SF, Zhao Y. Electron transfer within charge-localized dinitroaromatic radical anions. The Journal of Physical Chemistry. A. 113: 7730-6. PMID 19505069 DOI: 10.1021/Jp9017508 |
0.327 |
|
2009 |
Zhao Y, Liang W. Non-Condon nature of fluctuating bridges on nonadiabatic electron transfer: analytical interpretation. The Journal of Chemical Physics. 130: 034111. PMID 19173514 DOI: 10.1063/1.3063095 |
0.328 |
|
2009 |
Chu X, Zhao Y. Effect of environment on superexchange electron transfer in a multiple bridged donor-acceptor system Journal of Theoretical and Computational Chemistry. 8: 1295-1307. DOI: 10.1142/S0219633609005337 |
0.338 |
|
2009 |
Nan G, Yang X, Wang L, Shuai Z, Zhao Y. Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene Physical Review B. 79: 115203. DOI: 10.1103/Physrevb.79.115203 |
0.312 |
|
2008 |
Zhang W, Zhu W, Liang W, Zhao Y, Nelsen SF. Ab initio calculations on the intramolecular electron transfer rates of a bis(hydrazine) radical cation. The Journal of Physical Chemistry. B. 112: 11079-86. PMID 18683973 DOI: 10.1021/Jp8036507 |
0.331 |
|
2008 |
Zhao Y. Density matrix analysis and simulation of electron dynamics in multiple-bridged donor/acceptor molecules under dissipative environments Journal of Theoretical and Computational Chemistry. 7: 869-877. DOI: 10.1142/S0219633608004179 |
0.333 |
|
2007 |
Gao F, Zhao Y, Liang W. Theoretical studies toward understanding the excited state dynamics of a bichromophoric molecule. The Journal of Chemical Physics. 126: 224509. PMID 17581065 DOI: 10.1063/1.2741559 |
0.338 |
|
2007 |
Zhu W, Zhao Y. Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions Journal of Chemical Physics. 126: 184105-184105. PMID 17508790 DOI: 10.1063/1.2735323 |
0.347 |
|
2007 |
Nelsen SF, Konradsson AE, Weaver MN, Stephenson RM, Lockard JV, Zink JI, Zhao Y. Comparisons of measured rate constants with spectroscopically determined electron-transfer parameters. The Journal of Physical Chemistry. B. 111: 6776-81. PMID 17388559 DOI: 10.1021/Jp069032K |
0.349 |
|
2007 |
Zhao Y, Han M, Liang W, Nakamura H. Semiclassical treatment of thermally activated electron transfer in the inverted region under the fast dielectric relaxation. The Journal of Physical Chemistry. A. 111: 2047-53. PMID 17311366 DOI: 10.1021/Jp066565K |
0.35 |
|
2007 |
Zhu W, Han M, Zhao Y. Electron transfer dynamics in solution using imaginary-time split operator approach Chinese Journal of Chemical Physics. 20: 217-223. DOI: 10.1088/1674-0068/20/03/217-223 |
0.302 |
|
2006 |
Zhao Y, Liang W, Nakamura H. Semiclassical treatment of thermally activated electron transfer in the intermediate to strong electronic coupling regime under the fast dielectric relaxation. The Journal of Physical Chemistry. A. 110: 8204-12. PMID 16805508 DOI: 10.1021/Jp061513G |
0.353 |
|
2006 |
Liang W, Zhao Y, Sun J, Song J, Hu S, Yang J. Electronic excitation of polyfluorenes: a theoretical study. The Journal of Physical Chemistry. B. 110: 9908-15. PMID 16706446 DOI: 10.1021/Jp0572481 |
0.312 |
|
2006 |
Zhao Y, Li X, Zheng Z, Liang W. Semiclassical calculation of nonadiabatic thermal rate constants: application to condensed phase reactions. The Journal of Chemical Physics. 124: 114508. PMID 16555902 DOI: 10.1063/1.2178323 |
0.323 |
|
2006 |
Zhao Y, Liang W. Quantum Kramers-like theory of the electron-transfer rate from weak-to-strong electronic coupling regions Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.032706 |
0.337 |
|
2006 |
Song J, Liang WZ, Zhao Y, Yang J. Conformational flexibility and its effect on the vibrationally resolved absorption and fluorescence spectra of oligofluorenes Applied Physics Letters. 89: 071917. DOI: 10.1063/1.2337530 |
0.334 |
|
2005 |
Zhao Y, Mil’nikov G. Electron transfer rate in the Marcus inverted regime beyond the perturbation theory Chemical Physics Letters. 413: 362-366. DOI: 10.1016/J.Cplett.2005.08.016 |
0.352 |
|
2004 |
Zhao Y, Mil’nikov G, Nakamura H. Evaluation of canonical and microcanonical nonadiabatic reaction rate constants by using the Zhu-Nakamura formulas. Journal of Chemical Physics. 121: 8854-8860. PMID 15527348 DOI: 10.1063/1.1801971 |
0.303 |
|
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