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ACS Omega
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August 29, 2019
Baird's Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity
Donghai Yu, Chunying Rong, Tian Lu, et al.
Journal of Molecular Modeling
|
October 3, 2024
Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities
Yilin Zhao, Dongbo Zhao, Shubin Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2022
Efficient and accurate density-based prediction of macromolecular polarizabilities
Dongbo Zhao, Yilin Zhao, Xin He, et al.
The Journal of Chemical Physics
|
October 9, 2017
Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation
Pan-Pan Zhou, Shubin Liu, Paul W Ayers, et al.
The Journal of Chemical Physics
|
June 24, 2025
Extending the information-theoretic approach from the (one) electron density to the pair density
Yilin Zhao, Dongbo Zhao, Chunying Rong, et al.
The Journal of Physical Chemistry. A
|
April 27, 2016
Information Functional Theory: Electronic Properties as Functionals of Information for Atoms and Molecules
Xia-Yu Zhou, Chunying Rong, Tian Lu, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 23, 2011
Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) complexes
Pan-Pan Zhou, Wen-Yuan Qiu, Shubin Liu, et al.
Inorganic Chemistry
|
May 2, 2023
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex
Bin Wang, Chunying Rong, Ming Lei, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2015
Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective
Zemin Wu, Chunying Rong, Tian Lu, et al.
Organic Letters
|
October 31, 2025
Synchronized Aromaticity Enables Syntheses of 2,4-Cyclohexadienones via [3 + 2]/[3,3]-Cascade Reaction
William A Carrick, Michael C Eng, Shubin Liu, et al.
Page
of 24
Search research articles
Search
Showing results (101-110 of 235) with videos related to
Sort By:
Page
of 24
ACS Omega
|
August 29, 2019
Baird's Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity
Donghai Yu, Chunying Rong, Tian Lu, et al.
Journal of Molecular Modeling
|
October 3, 2024
Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities
Yilin Zhao, Dongbo Zhao, Shubin Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2022
Efficient and accurate density-based prediction of macromolecular polarizabilities
Dongbo Zhao, Yilin Zhao, Xin He, et al.
The Journal of Chemical Physics
|
October 9, 2017
Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation
Pan-Pan Zhou, Shubin Liu, Paul W Ayers, et al.
The Journal of Chemical Physics
|
June 24, 2025
Extending the information-theoretic approach from the (one) electron density to the pair density
Yilin Zhao, Dongbo Zhao, Chunying Rong, et al.
The Journal of Physical Chemistry. A
|
April 27, 2016
Information Functional Theory: Electronic Properties as Functionals of Information for Atoms and Molecules
Xia-Yu Zhou, Chunying Rong, Tian Lu, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 23, 2011
Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) complexes
Pan-Pan Zhou, Wen-Yuan Qiu, Shubin Liu, et al.
Inorganic Chemistry
|
May 2, 2023
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex
Bin Wang, Chunying Rong, Ming Lei, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2015
Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective
Zemin Wu, Chunying Rong, Tian Lu, et al.
Organic Letters
|
October 31, 2025
Synchronized Aromaticity Enables Syntheses of 2,4-Cyclohexadienones via [3 + 2]/[3,3]-Cascade Reaction
William A Carrick, Michael C Eng, Shubin Liu, et al.
Page
of 24