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Journal of Chemical Theory and Computation
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May 5, 2026
Double-Hybrid Density Functional Theory within the Cluster-in-Molecule Local Correlation Framework for Large Molecular Systems
Zhigang Ni, Lin Shen, Shuhua Li
The Journal of Physical Chemistry. A
|
December 21, 2016
Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional Theory
Zhigang Ni, Krzysztof Wolinski, Peter Pulay
Journal of Computational Chemistry
|
October 27, 2018
Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems
Zhigang Ni, Wei Li, Shuhua Li
Accounts of Chemical Research
|
November 22, 2023
Cluster-in-Molecule Local Correlation Method for Dispersion Interactions in Large Systems and Periodic Systems
Wei Li, Yuqi Wang, Zhigang Ni, et al.
Journal of Chemical Theory and Computation
|
March 29, 2019
Cluster-in-Molecule Local Correlation Approach for Periodic Systems
Yuqi Wang, Zhigang Ni, Wei Li, et al.
Applied Optics
|
May 5, 2018
Broader color gamut of color-modulating optical coating display based on indium tin oxide and phase change materials
Zhigang Ni, Shenghong Mou, Tong Zhou, et al.
Journal of Chemical Theory and Computation
|
April 16, 2024
Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems
Yang Zheng, Zhigang Ni, Yuqi Wang, et al.
Journal of Chemical Theory and Computation
|
January 7, 2021
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems
Zhigang Ni, Yang Guo, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems
Zhigang Ni, Yuqi Wang, Wei Li, et al.
Journal of Chemical Theory and Computation
|
October 14, 2022
Cluster-in-Molecule Method Combined with the Domain-Based Local Pair Natural Orbital Approach for Electron Correlation Calculations of Periodic Systems
Yuqi Wang, Zhigang Ni, Frank Neese, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
May 5, 2026
Double-Hybrid Density Functional Theory within the Cluster-in-Molecule Local Correlation Framework for Large Molecular Systems
Zhigang Ni, Lin Shen, Shuhua Li
The Journal of Physical Chemistry. A
|
December 21, 2016
Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional Theory
Zhigang Ni, Krzysztof Wolinski, Peter Pulay
Journal of Computational Chemistry
|
October 27, 2018
Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems
Zhigang Ni, Wei Li, Shuhua Li
Accounts of Chemical Research
|
November 22, 2023
Cluster-in-Molecule Local Correlation Method for Dispersion Interactions in Large Systems and Periodic Systems
Wei Li, Yuqi Wang, Zhigang Ni, et al.
Journal of Chemical Theory and Computation
|
March 29, 2019
Cluster-in-Molecule Local Correlation Approach for Periodic Systems
Yuqi Wang, Zhigang Ni, Wei Li, et al.
Applied Optics
|
May 5, 2018
Broader color gamut of color-modulating optical coating display based on indium tin oxide and phase change materials
Zhigang Ni, Shenghong Mou, Tong Zhou, et al.
Journal of Chemical Theory and Computation
|
April 16, 2024
Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems
Yang Zheng, Zhigang Ni, Yuqi Wang, et al.
Journal of Chemical Theory and Computation
|
January 7, 2021
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems
Zhigang Ni, Yang Guo, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems
Zhigang Ni, Yuqi Wang, Wei Li, et al.
Journal of Chemical Theory and Computation
|
October 14, 2022
Cluster-in-Molecule Method Combined with the Domain-Based Local Pair Natural Orbital Approach for Electron Correlation Calculations of Periodic Systems
Yuqi Wang, Zhigang Ni, Frank Neese, et al.
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of 5