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W

William J. Glover

nyu shanghai and ecnu

24H指数
116论文数
2.0K被引数
收录论文 32
发表时间
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UV Response of the Green Fluorescent Protein Chromophore: Insights from Ab Initio Nonadiabatic Simulations绿色荧光蛋白发色团的UV响应：来自从头算非绝热模拟的见解
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-20
err0
errOAAI
errWutthinan Thongyod; Tingyao Lu; Yuanming Bai; Chutintorn Punwong; William J. Glover
err分享
err收藏
Multistate, Polarizable QM/MM Embedding Scheme Based on the Direct Reaction Field Method: Solvatochromic Shifts, Analytical Gradients and Optimizations of Conical Intersections in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-08
err8
errOAAI
errHumeniuk, Alexander; Glover, William J.
err分享
err收藏
Efficient analytical gradients of property-based diabatic states: Geometry optimizations for localized holes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-22
err0
PREAI
errPaz, Amiel S. P.; Glover, William J. J.
err分享
err收藏
Machine learning the Hohenberg-Kohn map for molecular excited states
errNATURE COMMUNICATIONS
IF15.7
err2022-11-17
err8
errOAAI
errBai, Yuanming; Vogt-Maranto, Leslie; Tuckerman, Mark E.; Glover, William J.
err分享
err收藏
Efficient CPU and GPU implementations of multicenter integrals over long-range operators using Cartesian Gaussian functions
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-11-01
err2
PREAI
errHumeniuk, Alexander; Glover, William J.
err分享
err收藏
Conical Intersections in Solution with Polarizable Embedding: Integral-Exact Direct Reaction Field
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-17
err8
PREAI
errLiu, Xiao; Humeniuk, Alexander; Glover, William J.
err分享
err收藏
Evidence for Water Antibonding Orbital Mixing in the Hydrated Electron from Its Oxygen 1s X-ray Absorption Spectrum
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-10-17
err6
PREAI
errLi, Xingpin; Jia, Xiangyu; Paz, Amiel S. P.; Cao, Yuquan; Glover, William J.
err分享
err收藏
Flexible boundary layer using exchange for embedding theories. II. QM/MM dynamics of the hydrated electron
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-13
err13
errOAAI
errShen, Zhuofan; Peng, Shaoting; Glover, William J.
err分享
err收藏
Flexible boundary layer using exchange for embedding theories. I. Theory and implementation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-13
err4
errOAAI
errShen, Zhuofan; Glover, William J.
err分享
err收藏
Active orbital preservation for multiconfigurational self-consistent field
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-18
err2
PREAI
errPaz, Amiel S. P.; Baleeva, Nadezhda S.; Glover, William J.
err分享
err收藏
Accurate Prediction of Absorption Spectral Shifts of Proteorhodopsin Using a Fragment-Based Quantum Mechanical Method
errMOLECULES
IF4.6
err2021-07-25
err7
errOAAI
errShen, Chenfei; Jin, Xinsheng; Glover, William J.; He, Xiao
err分享
err收藏
Diabatic Many-Body Expansion: Development and Application to Charge-Transfer Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-04
err7
PREAI
errPaz, Amiel S. P.; Glover, William J.
err分享
err收藏
Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-18
err30
PREAI
errJin, Xinsheng; Glover, William J.; He, Xiao
err分享
err收藏
The Fluxional Nature of the Hydrated Electron: Energy and Entropy Contributions to Aqueous Electron Free Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-01-08
err17
PREAI
errGlover, William J.; Schwartz, Benjamin J.
err分享
err收藏
Analytical gradients and derivative couplings for dynamically weighted complete active space self-consistent field
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-22
err10
PREAI
errGlover, W. J.; Paz, A. S. P.; Thongyod, W.; Punwong, C.
err分享
err收藏
Two-Dimensional Electronic Spectroscopy Reveals the Spectral Dynamics of Forster Resonance Energy Transfer
errCHEM
IF19.6
err2019-08-01
err18
errOAAI
errPetkov, Brian K.; Gellen, Tobias A.; Farfan, Camille A.; Carbery, William P.; Hetzler, Belinda E.; Trauner, Dirk; Li, Xingpin; Glover, William J.; Ulness, Darin J.; Turner, Daniel B.
err分享
err收藏
Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-24
err36
PREAI
errBoguslavskiy, Andrey E.; Schalk, Oliver; Gador, Niklas; Glover, William J.; Mori, Toshifumi; Schultz, Thomas; Schuurman, Michael S.; Martinez, Todd J.; Stolow, Albert
err分享
err收藏
Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-24
err61
errOAAI
errGlover, William J.; Mori, Toshifumi; Schuurman, Michael S.; Boguslavskiy, Andrey E.; Schalk, Oliver; Stolow, Albert; Martinez, Todd J.
err分享
err收藏
Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-03-21
err19
PREAI
errHagras, Muhammad A.; Glover, William J.
err分享
err收藏
Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-08-18
err29
PREAI
errZho, Chen-Chen; Farr, Erik P.; Glover, William J.; Schwartz, Benjamin J.
err分享
err收藏

研究方向

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合作学者
合作期刊
T
Todd J. Martı́nez
H 指数: 93 · 论文数: 666
M
Mark E. Tuckerman
H 指数: 84 · 论文数: 446
D
Dirk Trauner
H 指数: 83 · 论文数: 1.4K
B
Benjamin J. Schwartz
H 指数: 68 · 论文数: 438
P
Paul A. Madden
H 指数: 61 · 论文数: 280
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