受强制性开放获取政策约束的文章 - Zhen (Coraline) Tao了解详情
无法在其他位置公开访问的文章：1 篇
Spin–orbit versus hyperfine coupling-mediated intersystem crossing in a radical pair
SR May, C Climent, Z Tao, SA Vinogradov, JE Subotnik
The Journal of Physical Chemistry A 127 (16), 3591-3597, 2023
强制性开放获取政策： US Department of Energy
可在其他位置公开访问的文章：20 篇
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
Real-time time-dependent nuclear− electronic orbital approach: dynamics beyond the Born–Oppenheimer approximation
L Zhao, Z Tao, F Pavošević, A Wildman, S Hammes-Schiffer, X Li
The Journal of Physical Chemistry Letters 11 (10), 4052-4058, 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy
Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium
Z Tao, Y Yang, S Hammes-Schiffer
The Journal of Chemical Physics 151 (12), 2019
强制性开放获取政策： US National Science Foundation
Nuclear–electronic orbital Ehrenfest dynamics
L Zhao, A Wildman, Z Tao, P Schneider, S Hammes-Schiffer, X Li
The Journal of Chemical Physics 153 (22), 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy
Enhancing the applicability of multicomponent time-dependent density functional theory
T Culpitt, Y Yang, F Pavošević, Z Tao, S Hammes-Schiffer
The Journal of Chemical Physics 150 (20), 2019
强制性开放获取政策： US National Science Foundation, US Department of Energy
Semiclassical real-time nuclear-electronic orbital dynamics for molecular polaritons: Unified theory of electronic and vibrational strong couplings
TE Li, Z Tao, S Hammes-Schiffer
Journal of Chemical Theory and Computation 18 (5), 2774-2784, 2022
强制性开放获取政策： US Department of Defense
Direct dynamics with nuclear–electronic orbital density functional theory
Z Tao, Q Yu, S Roy, S Hammes-Schiffer
Accounts of Chemical Research 54 (22), 4131-4141, 2021
强制性开放获取政策： US National Science Foundation
Multicomponent coupled cluster singles and doubles with density fitting: Protonated water tetramers with quantized protons
F Pavošević, Z Tao, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 12 (6), 1631-1637, 2021
强制性开放获取政策： US National Science Foundation, US Department of Energy
Proton-coupled energy transfer in molecular triads
B Pettersson Rimgard, Z Tao, GA Parada, LF Cotter, S Hammes-Schiffer, ...
Science 377 (6607), 742-747, 2022
强制性开放获取政策： US National Institutes of Health, Swedish Research Council
Total Angular Momentum Conservation in Ab Initio Born-Oppenheimer Molecular Dynamics
X Bian, Z Tao, Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik
Phys. Rev. B 108, L220304, 2023
强制性开放获取政策： US National Science Foundation
Frequency and time domain nuclear–electronic orbital equation-of-motion coupled cluster methods: Combination bands and electronic–protonic double excitations
F Pavosevic, Z Tao, T Culpitt, L Zhao, X Li, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 11 (15), 6435-6442, 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy
Transition states, reaction paths, and thermochemistry using the nuclear–electronic orbital analytic Hessian
PE Schneider, Z Tao, F Pavošević, E Epifanovsky, X Feng, ...
The Journal of Chemical Physics 154 (5), 2021
强制性开放获取政策： US National Science Foundation
Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics
Z Tao, T Qiu, M Bhati, X Bian, T Duston, J Rawlinson, RG Littlejohn, ...
J. Chem. Phys. 160, 124101, 2024
强制性开放获取政策： US National Science Foundation
Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency
V Athavale, X Bian, Z Tao, Y Wu, T Qiu, J Rawlinson, RG Littlejohn, ...
The Journal of Chemical Physics 159 (11), 2023
强制性开放获取政策： US National Science Foundation
Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies
Z Tao, S Roy, PE Schneider, F Pavosevic, S Hammes-Schiffer
Journal of Chemical Theory and Computation 17 (8), 5110-5122, 2021
强制性开放获取政策： US National Science Foundation
Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory
Y Yang, T Culpitt, Z Tao, S Hammes-Schiffer
The Journal of Chemical Physics 149 (8), 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy
Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields
Z Tao, T Qiu, JE Subotnik
The Journal of Physical Chemistry Letters 14 (3), 770-778, 2023
强制性开放获取政策： US Department of Defense
Solvated Nuclear–Electronic Orbital Structure and Dynamics
A Wildman, Z Tao, L Zhao, S Hammes-Schiffer, X Li
Journal of chemical theory and computation 18 (3), 1340-1346, 2022
强制性开放获取政策： US National Science Foundation, US Department of Energy
Multicomponent orbital-optimized perturbation theory with density fitting: Anharmonic zero-point energies in protonated water clusters
JH Fetherolf, F Pavošević, Z Tao, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 13 (24), 5563-5570, 2022
强制性开放获取政策： US National Science Foundation
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