Chunying Rong - Publications

Affiliations: 
College of Chemistry and Chemical Engineering Hunan Normal University, China 

27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Yu D, Stuyver T, Rong C, Alonso M, Lu T, De Proft F, Geerlings P, Liu S. Global and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theory. Physical Chemistry Chemical Physics : Pccp. PMID 31389933 DOI: 10.1039/c9cp01623f  0.68
2019 Wu J, Yu D, Liu S, Rong C, Zhong AG, Chattaraj PK, Liu S. Is It Possible to Determine Oxidation States for Atoms in Molecules Using Density-Based Quantities? An Information-Theoretic Approach and Conceptual Density Functional Theory Study. The Journal of Physical Chemistry. A. PMID 31305075 DOI: 10.1021/acs.jpca.9b05054  0.68
2019 Liu S, Zhao D, Rong C, Lu T, Liu S. Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionals. The Journal of Chemical Physics. 150: 204106. PMID 31153167 DOI: 10.1063/1.5095072  0.68
2019 Rong C, Zhao D, Zhou T, Liu S, Yu D, Liu S. Homogeneous Molecular Systems are Positively Cooperative but Charged Molecular Systems are Negatively Cooperative. The Journal of Physical Chemistry Letters. PMID 30916572 DOI: 10.1021/acs.jpclett.9b00639  0.68
2018 Yu D, Rong C, Lu T, De Proft F, Liu S. Baird's Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity. Acs Omega. 3: 18370-18379. PMID 31458411 DOI: 10.1021/acsomega.8b02881  0.68
2018 Zhao D, Liu S, Rong C, Zhong A, Liu S. Toward Understanding the Isomeric Stability of Fullerenes with Density Functional Theory and the Information-Theoretic Approach. Acs Omega. 3: 17986-17990. PMID 31458389 DOI: 10.1021/acsomega.8b02702  0.68
2018 Huang Y, Liu L, Rong C, Lu T, Ayers PW, Liu S. SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders. Journal of Molecular Modeling. 24: 213. PMID 30032451 DOI: 10.1007/s00894-018-3721-9  0.68
2018 Rong C, Zhao D, Yu D, Liu S. Quantification and origin of cooperativity: insights from density functional reactivity theory. Physical Chemistry Chemical Physics : Pccp. PMID 29927447 DOI: 10.1039/c8cp03092h  0.68
2018 Liu S, Rong C, Lu T, Hu H. Identifying Strong Covalent Interactions with Pauli Energy. The Journal of Physical Chemistry. A. PMID 29489374 DOI: 10.1021/acs.jpca.8b00521  0.68
2018 Liu S, Liu L, Yu D, Rong C, Lu T. Steric charge. Physical Chemistry Chemical Physics : Pccp. PMID 29299564 DOI: 10.1039/c7cp07678a  0.68
2017 Yu D, Du R, Xiao JC, Xu S, Rong C, Liu S. Theoretical Study of pKa Values for Trivalent Rare-Earth Metal Cations in Aqueous Solution. The Journal of Physical Chemistry. A. PMID 29260874 DOI: 10.1021/acs.jpca.7b12074  0.68
2017 Cao X, Rong C, Zhong A, Lu T, Liu S. Molecular acidity: An accurate description with information-theoretic approach in density functional reactivity theory. Journal of Computational Chemistry. PMID 29076175 DOI: 10.1002/jcc.25090  0.68
2017 Yu D, Rong C, Lu T, Chattaraj PK, De Proft F, Liu S. Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory. Physical Chemistry Chemical Physics : Pccp. PMID 28692080 DOI: 10.1039/c7cp03544f  0.68
2017 Xia M, Wang G, Gu Z, Qiu Z, Rong C, Zhang J, Zhou W, Yu L, Lian S. Enhanced photoluminescence of the Ca0.8 Zn0.2 TiO3 :0.05% Pr(3+) phosphor by optimized hydrothermal conditions. Luminescence : the Journal of Biological and Chemical Luminescence. PMID 28181726 DOI: 10.1002/bio.3283  0.32
2017 Huang Y, Rong C, Zhang R, Liu S. Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory. Journal of Molecular Modeling. 23: 3. PMID 27933419 DOI: 10.1007/s00894-016-3175-x  0.68
2016 Liu S, Rong C, Lu T. Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivity. Physical Chemistry Chemical Physics : Pccp. PMID 27982154 DOI: 10.1039/c6cp06376d  0.68
2016 Zhou XY, Rong C, Lu T, Zhou PP, Liu S. Information Functional Theory: Electronic Properties as Functionals of Information for Atoms and Molecules. The Journal of Physical Chemistry. A. PMID 27115776 DOI: 10.1021/acs.jpca.6b01197  0.6
2015 Wu Z, Rong C, Lu T, Ayers PW, Liu S. Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective. Physical Chemistry Chemical Physics : Pccp. PMID 26412416 DOI: 10.1039/c5cp04442a  0.68
2015 Wu W, Wu Z, Rong C, Lu T, Huang Y, Liu S. Computational Study of Chemical Reactivity using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions. The Journal of Physical Chemistry. A. PMID 26125512 DOI: 10.1021/acs.jpca.5b04309  0.68
2015 Rong C, Lu T, Ayers PW, Chattaraj PK, Liu S. Correction: Scaling properties of information-theoretic quantities in density functional reactivity theory. Physical Chemistry Chemical Physics : Pccp. 17: 11110-1. PMID 25826700 DOI: 10.1039/c5cp90049b  0.68
2015 Rong C, Lu T, Ayers PW, Chattaraj PK, Liu S. Scaling properties of information-theoretic quantities in density functional reactivity theory. Physical Chemistry Chemical Physics : Pccp. 17: 4977-88. PMID 25592375 DOI: 10.1039/c4cp05609d  0.68
2014 Rong C, Lu T, Liu S. Dissecting molecular descriptors into atomic contributions in density functional reactivity theory Journal of Chemical Physics. 140. PMID 24437867 DOI: 10.1063/1.4860969  0.6
2011 Jenkins S, Rong C, Kirk SR, Yin D, Liu S. Spanning set of silica cluster isomer topologies from QTAIM Journal of Physical Chemistry A. 115: 12503-12511. PMID 21557588 DOI: 10.1021/jp202294n  0.6
2008 Xia Y, Yin D, Rong C, Xu Q, Yin D, Liu S. Impact of Lewis acids on Diels-Alder reaction reactivity: a conceptual density functional theory study. The Journal of Physical Chemistry. A. 112: 9970-7. PMID 18785697 DOI: 10.1021/jp805410c  0.68
2008 Huang Y, Zhong A, Rong C, Xiao X, Liu S. Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study. The Journal of Physical Chemistry. A. 112: 305-11. PMID 18092767 DOI: 10.1021/jp077178t  0.68
2007 Zhong A, Rong C, Liu S. Structural and dynamic properties of (SiO2)6 silica nanostructures: A quantum molecular dynamics study Journal of Physical Chemistry A. 111: 3132-3136. PMID 17391013 DOI: 10.1021/jp0702200  0.6
2006 Rong C, Lian S, Yin D, Shen B, Zhong A, Bartolotti L, Liu S. Towards understanding performance differences between approximate density functionals for spin states of iron complexes. The Journal of Chemical Physics. 125: 174102. PMID 17100424 DOI: 10.1063/1.2378830  0.68
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