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The Journal of Physical Chemistry. A
|
April 23, 2021
Quantifications and Applications of Relative Fisher Information in Density Functional Theory
Bin Wang, Dongbo Zhao, Tian Lu, et al.
The Journal of Physical Chemistry. A
|
November 16, 2011
Modeling molecular acidity with electronic properties and Hammett constants for substituted benzoic acids
Ying Huang, Lianghong Liu, Wanhui Liu, et al.
The Journal of Chemical Physics
|
June 3, 2019
Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionals
Siyuan Liu, Dongbo Zhao, Chunying Rong, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2023
Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach study
Meng Li, Xinjie Wan, Xin He, et al.
The Journal of Physical Chemistry. A
|
December 21, 2007
Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study
Ying Huang, Aiguo Zhong, Chunying Rong, et al.
Journal of Chemical Theory and Computation
|
October 27, 2023
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields
Jorge Nochebuena, Jean-Philip Piquemal, Shubin Liu, et al.
Respiratory Research
|
October 25, 2023
Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway
Ning Zhang, Zhouzhong Liu, Xuwang Lai, et al.
The Journal of Physical Chemistry. A
|
May 12, 2011
Spanning set of silica cluster isomer topologies from QTAIM
Samantha Jenkins, Chunying Rong, Steven R Kirk, et al.
Entropy (Basel, Switzerland)
|
June 26, 2025
Information Theory Meets Quantum Chemistry: A Review and Perspective
Yilin Zhao, Dongbo Zhao, Chunying Rong, et al.
Journal of the American Chemical Society
|
December 12, 2013
A biomimetic copper water oxidation catalyst with low overpotential
Teng Zhang, Cheng Wang, Shubin Liu, et al.
Page
of 24
Search research articles
Search
Showing results (91-100 of 235) with videos related to
Sort By:
Page
of 24
The Journal of Physical Chemistry. A
|
April 23, 2021
Quantifications and Applications of Relative Fisher Information in Density Functional Theory
Bin Wang, Dongbo Zhao, Tian Lu, et al.
The Journal of Physical Chemistry. A
|
November 16, 2011
Modeling molecular acidity with electronic properties and Hammett constants for substituted benzoic acids
Ying Huang, Lianghong Liu, Wanhui Liu, et al.
The Journal of Chemical Physics
|
June 3, 2019
Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionals
Siyuan Liu, Dongbo Zhao, Chunying Rong, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2023
Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach study
Meng Li, Xinjie Wan, Xin He, et al.
The Journal of Physical Chemistry. A
|
December 21, 2007
Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study
Ying Huang, Aiguo Zhong, Chunying Rong, et al.
Journal of Chemical Theory and Computation
|
October 27, 2023
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields
Jorge Nochebuena, Jean-Philip Piquemal, Shubin Liu, et al.
Respiratory Research
|
October 25, 2023
Silencing of CD147 inhibits cell proliferation, migration, invasion, lipid metabolism dysregulation and promotes apoptosis in lung adenocarcinoma via blocking the Rap1 signaling pathway
Ning Zhang, Zhouzhong Liu, Xuwang Lai, et al.
The Journal of Physical Chemistry. A
|
May 12, 2011
Spanning set of silica cluster isomer topologies from QTAIM
Samantha Jenkins, Chunying Rong, Steven R Kirk, et al.
Entropy (Basel, Switzerland)
|
June 26, 2025
Information Theory Meets Quantum Chemistry: A Review and Perspective
Yilin Zhao, Dongbo Zhao, Chunying Rong, et al.
Journal of the American Chemical Society
|
December 12, 2013
A biomimetic copper water oxidation catalyst with low overpotential
Teng Zhang, Cheng Wang, Shubin Liu, et al.
Page
of 24