Gao Xing (高星)
Gao Xing (高星)
E-mail confirmado em mail.sysu.edu.cn
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Theory of excited state decays and optical spectra: Application to polyatomic molecules
Y Niu, Q Peng, C Deng, X Gao, Z Shuai
The Journal of Physical Chemistry A 114 (30), 7817-7831, 2010
2132010
Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods
X Gao, S Bai, D Fazzi, T Niehaus, M Barbatti, W Thiel
Journal of chemical theory and computation 13 (2), 515-524, 2017
982017
Correlation function formalism for triplet excited state decay: combined spin–orbit and nonadiabatic couplings
Q Peng, Y Niu, Q Shi, X Gao, Z Shuai
Journal of chemical theory and computation 9 (2), 1132-1143, 2013
972013
Theoretical insights into the aggregation-induced emission by hydrogen bonding: a QM/MM study
Q Wu, Q Peng, Y Niu, X Gao, Z Shuai
The Journal of Physical Chemistry A 116 (15), 3881-3888, 2012
752012
Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study
X Gao, Q Peng, Y Niu, D Wang, Z Shuai
Physical Chemistry Chemical Physics 14 (41), 14207-14216, 2012
462012
Theoretical design of polythienylenevinylene derivatives for improvements of light-emitting and photovoltaic performances
Y Jiang, Q Peng, X Gao, Z Shuai, Y Niu, SH Lin
Journal of Materials Chemistry 22 (10), 4491-4501, 2012
372012
Nonadiabatic molecular dynamics modeling of the intrachain charge transport in conjugated diketopyrrolo-pyrrole polymers
X Gao, H Geng, Q Peng, J Ren, Y Yi, D Wang, Z Shuai
The Journal of Physical Chemistry C 118 (13), 6631-6640, 2014
262014
Non-Hermitian surface hopping
X Gao, W Thiel
Physical Review E 95 (1), 013308, 2017
222017
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics
X Gao, MAC Saller, Y Liu, A Kelly, JO Richardson, E Geva
Journal of Chemical Theory and Computation 16 (5), 2883-2895, 2020
92020
Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics
E Mulvihill, X Gao, Y Liu, A Schubert, BD Dunietz, E Geva
The Journal of chemical physics 151 (7), 074103, 2019
82019
Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group Modification
R Liu, X Gao, M Barbatti, J Jiang, G Zhang
The journal of physical chemistry letters 10 (6), 1388-1393, 2019
62019
Near-Field Spectroscopy of Nanoscale Molecular Aggregates
X Gao, A Eisfeld
The journal of physical chemistry letters 9 (20), 6003-6010, 2018
62018
Electronic dynamics through conical intersections via quasi-classical mapping Hamiltonian methods
Y Liu, X Gao, Y Lai, E Mulvihill, E Geva
Journal of Chemical Theory and Computation, 2020
52020
Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical …
Z Tong, X Gao, MS Cheung, BD Dunietz, E Geva, X Sun
The Journal of Chemical Physics 153 (4), 044105, 2020
42020
Excitonic Wave Function Reconstruction from Near-Field Spectra Using Machine Learning Techniques
F Zheng, X Gao, A Eisfeld
PHYSICAL REVIEW LETTERS 123, 163202, 2019
42019
Theoretical understanding of AIE phenomena through computational chemistry
Q Peng, Y Niu, Q Wu, X Gao, Z Shuai
Aggregation‐Induced Emission: Fundamentals and Applications, Volumes 1 and 2 …, 2013
42013
Charge and energy transfer in large molecular assemblies: Quantum state diffusion with an adaptive basis
X Gao, A Eisfeld
The Journal of chemical physics 150 (23), 234115, 2019
32019
A Nonperturbative Methodology for Simulating Multidimensional Spectra of Multiexcitonic Molecular Systems via Quasiclassical Mapping Hamiltonian Methods
X Gao, E Geva
Journal of Chemical Theory and Computation, 2020
12020
Simulating Absorption Spectra of Multi-Excitonic Systems via Quasiclassical Mapping Hamiltonian Methods
X Gao, Y Lai, E Geva
Journal of Chemical Theory and Computation, 2020
12020
Modeling Exciton Transport in the Photosystem II Reaction Center via the Modified Generalized Quantum Master Equation
K Lenn, E Mulvihill, X Gao, A Schubert, E Geva
Bulletin of the American Physical Society, 2020
2020
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Artigos 1–20