受强制性开放获取政策约束的文章 - Junzi Liu了解详情
无法在其他位置公开访问的文章：2 篇
Recovery of Au (III) by radiation synthesized aminomethyl pyridine functionalized adsorbents based on cellulose
Z Dong, J Liu, W Yuan, Y Yi, L Zhao
Chemical Engineering Journal 283, 504-513, 2016
强制性开放获取政策： 国家自然科学基金委员会
Aminomethylpyridine isomers functionalized cellulose microspheres for TcO4-/ReO4- uptake: Structure-properties relationship and their application in different aquatic systems
Z Dong, J Liu, D Wen, M linZhai, L Zhao
Journal of Hazardous Materials 433, 128728, 2022
强制性开放获取政策： 国家自然科学基金委员会
可在其他位置公开访问的文章：17 篇
PySCF: the Python‐based simulations of chemistry framework
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of Chemical Physics 153 (2), 024109, 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core–Valence-Separated Equation-of-Motion Coupled-Cluster Methods
J Liu, D Matthews, S Coriani, L Cheng
Journal of Chemical Theory and Computation 15 (3), 1642-1651, 2019
强制性开放获取政策： Danish Council for Independent Research
Relativistic coupled‐cluster and equation‐of‐motion coupled‐cluster methods
J Liu, L Cheng
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (6), e1536, 2021
强制性开放获取政策： US Department of Energy
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
J Liu, A Asthana, L Cheng, D Mukherjee
The Journal of Chemical Physics 148 (24), 244110, 2018
强制性开放获取政策： Department of Science & Technology, India
Photoexcitation of Light-Harvesting C–P–C60 Triads: A FLMO-TD-DFT Study
J Liu, Y Zhang, W Liu
Journal of Chemical Theory and Computation 10 (6), 2436-2448, 2014
强制性开放获取政策： 国家自然科学基金委员会
Towards understanding the color change of 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide during gamma irradiation: an experimental and theoretical study
S Wang, J Liu, L Yuan, Z Cui, J Peng, J Li, M Zhai, W Liu
Physical Chemistry Chemical Physics 16 (35), 18729-18735, 2014
强制性开放获取政策： 国家自然科学基金委员会
Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an …
J Liu, X Zheng, A Asthana, C Zhang, L Cheng
The Journal of Chemical Physics 154 (6), 064110, 2021
强制性开放获取政策： US Department of Energy
Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States
J Liu, Y Zhang, P Bao, Y Yi
Journal of Chemical Theory and Computation 13 (2), 843-851, 2017
强制性开放获取政策： 中国科学院, 国家自然科学基金委员会
Hetero-Site Double Core Ionization Energies with Sub-eV Accuracy from Delta-Coupled-Cluster Calculations
X Zheng, J Liu, G Doumy, L Young, L Cheng
The Journal of Physical Chemistry A 124 (22), 4413-4426, 2020
强制性开放获取政策： US Department of Energy
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
M Hodecker, SM Thielen, J Liu, DR Rehn, A Dreuw
Journal of Chemical Theory and Computation 16 (6), 3654–3663, 2020
强制性开放获取政策： German Research Foundation
Unitary coupled-cluster based self-consistent polarization propagator theory: a quadratic unitary coupled-cluster singles and doubles scheme
J Liu, L Cheng
The Journal of Chemical Physics 155 (17), 174102, 2021
强制性开放获取政策： US Department of Energy
Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version
J Liu, DA Matthews, L Cheng
Journal of Chemical Theory and Computation 18 (4), 2281–2291, 2022
强制性开放获取政策： US National Science Foundation, US Department of Energy
Geometry optimizations with spinor-based relativistic coupled-cluster theory
X Zheng, C Zhang, J Liu, L Cheng
The Journal of Chemical Physics 156 (15), 151101, 2022
强制性开放获取政策： US Department of Energy
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
C Zhang, X Zheng, J Liu, A Asthana, L Cheng
The Journal of Chemical Physics 159 (24), 244113, 2023
强制性开放获取政策： US National Science Foundation, US Department of Energy
Anion photoelectron spectroscopic and relativistic coupled-cluster studies of uranyl dichloride anion, UO2Cl2−
M Marshall, Z Zhu, J Liu, KH Bowen, L Cheng
Journal of Molecular Spectroscopy 379, 111496, 2021
强制性开放获取政策： US Department of Energy
Photoelectron Spectroscopic and ab Initio Computational Studies of the Anion, HThO–
M Marshall, Z Zhu, J Liu, L Cheng, KH Bowen
The Journal of Physical Chemistry A 125 (9), 1903-1909, 2021
强制性开放获取政策： US Department of Energy
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