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The Journal of Chemical Physics
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April 23, 2022
Geometry optimizations with spinor-based relativistic coupled-cluster theory
Xuechen Zheng, Chaoqun Zhang, Junzi Liu, et al.
Journal of Chemical Theory and Computation
|
February 1, 2019
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods
Junzi Liu, Devin Matthews, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States
Junzi Liu, Yong Zhang, Peng Bao, et al.
The Journal of Chemical Physics
|
January 22, 2018
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
Junzi Liu, Yue Shen, Ayush Asthana, et al.
The Journal of Chemical Physics
|
February 16, 2021
Analytic evaluation of energy first derivatives for spin-orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
Junzi Liu, Xuechen Zheng, Ayush Asthana, et al.
The Journal of Chemical Physics
|
December 28, 2023
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
Chaoqun Zhang, Xuechen Zheng, Junzi Liu, et al.
The Journal of Physical Chemistry. A
|
September 23, 2024
Elucidating Anomalous Intensity Ratios in Chlorine L-Edge X-ray Absorption Spectroscopy: Multiplet Effects and Core Rydberg Transitions
Zhe Lin, Junzi Liu, Chaoqun Zhang, et al.
Journal of Hazardous Materials
|
April 1, 2022
Aminomethylpyridine isomers functionalized cellulose microspheres for TcO<sub>4</sub><sup>-</sup>/ReO<sub>4</sub><sup>-</sup> uptake: Structure-properties relationship and their application in different aquatic systems
Zhen Dong, Junzi Liu, Di Wen, et al.
The Journal of Physical Chemistry. A
|
April 8, 2020
Hetero-site Double Core Ionization Energies with Sub-electronvolt Accuracy from Delta-Coupled-Cluster Calculations
Xuechen Zheng, Junzi Liu, Gilles Doumy, et al.
The Journal of Physical Chemistry. A
|
March 2, 2021
Photoelectron Spectroscopic and <i>ab Initio</i> Computational Studies of the Anion, HThO
Mary Marshall, Zhaoguo Zhu, Junzi Liu, et al.
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of 3
Search research articles
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Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
April 23, 2022
Geometry optimizations with spinor-based relativistic coupled-cluster theory
Xuechen Zheng, Chaoqun Zhang, Junzi Liu, et al.
Journal of Chemical Theory and Computation
|
February 1, 2019
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods
Junzi Liu, Devin Matthews, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States
Junzi Liu, Yong Zhang, Peng Bao, et al.
The Journal of Chemical Physics
|
January 22, 2018
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
Junzi Liu, Yue Shen, Ayush Asthana, et al.
The Journal of Chemical Physics
|
February 16, 2021
Analytic evaluation of energy first derivatives for spin-orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
Junzi Liu, Xuechen Zheng, Ayush Asthana, et al.
The Journal of Chemical Physics
|
December 28, 2023
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
Chaoqun Zhang, Xuechen Zheng, Junzi Liu, et al.
The Journal of Physical Chemistry. A
|
September 23, 2024
Elucidating Anomalous Intensity Ratios in Chlorine L-Edge X-ray Absorption Spectroscopy: Multiplet Effects and Core Rydberg Transitions
Zhe Lin, Junzi Liu, Chaoqun Zhang, et al.
Journal of Hazardous Materials
|
April 1, 2022
Aminomethylpyridine isomers functionalized cellulose microspheres for TcO<sub>4</sub><sup>-</sup>/ReO<sub>4</sub><sup>-</sup> uptake: Structure-properties relationship and their application in different aquatic systems
Zhen Dong, Junzi Liu, Di Wen, et al.
The Journal of Physical Chemistry. A
|
April 8, 2020
Hetero-site Double Core Ionization Energies with Sub-electronvolt Accuracy from Delta-Coupled-Cluster Calculations
Xuechen Zheng, Junzi Liu, Gilles Doumy, et al.
The Journal of Physical Chemistry. A
|
March 2, 2021
Photoelectron Spectroscopic and <i>ab Initio</i> Computational Studies of the Anion, HThO
Mary Marshall, Zhaoguo Zhu, Junzi Liu, et al.
Page
of 3