Rong C - Search Results

1

Dissecting molecular descriptors into atomic contributions in density functional reactivity theory.

Rong C, Lu T, Liu S. Rong C, et al. J Chem Phys. 2014 Jan 14;140(2):024109. doi: 10.1063/1.4860969. J Chem Phys. 2014. PMID: 24437867

2

Towards understanding performance differences between approximate density functionals for spin states of iron complexes.

Rong C, Lian S, Yin D, Shen B, Zhong A, Bartolotti L, Liu S. Rong C, et al. J Chem Phys. 2006 Nov 7;125(17):174102. doi: 10.1063/1.2378830. J Chem Phys. 2006. PMID: 17100424

3

Structural and dynamic properties of (SiO2)6 silica nanostructures: a quantum molecular dynamics study.

Zhong A, Rong C, Liu S. Zhong A, et al. Among authors: rong c. J Phys Chem A. 2007 Apr 26;111(16):3132-6. doi: 10.1021/jp0702200. Epub 2007 Mar 29. J Phys Chem A. 2007. PMID: 17391013

4

Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study.

Huang Y, Zhong A, Rong C, Xiao X, Liu S. Huang Y, et al. Among authors: rong c. J Phys Chem A. 2008 Jan 17;112(2):305-11. doi: 10.1021/jp077178t. Epub 2007 Dec 20. J Phys Chem A. 2008. PMID: 18092767

5

Impact of Lewis acids on Diels-Alder reaction reactivity: a conceptual density functional theory study.

Xia Y, Yin D, Rong C, Xu Q, Yin D, Liu S. Xia Y, et al. Among authors: rong c. J Phys Chem A. 2008 Oct 9;112(40):9970-7. doi: 10.1021/jp805410c. Epub 2008 Sep 11. J Phys Chem A. 2008. PMID: 18785697

6

Spanning set of silica cluster isomer topologies from QTAIM.

Jenkins S, Rong C, Kirk SR, Yin D, Liu S. Jenkins S, et al. Among authors: rong c. J Phys Chem A. 2011 Nov 17;115(45):12503-11. doi: 10.1021/jp202294n. Epub 2011 May 10. J Phys Chem A. 2011. PMID: 21557588

7

Scaling properties of information-theoretic quantities in density functional reactivity theory.

Rong C, Lu T, Ayers PW, Chattaraj PK, Liu S. Rong C, et al. Phys Chem Chem Phys. 2015 Feb 21;17(7):4977-88. doi: 10.1039/c4cp05609d. Phys Chem Chem Phys. 2015. PMID: 25592375

8

Correction: Scaling properties of information-theoretic quantities in density functional reactivity theory.

Rong C, Lu T, Ayers PW, Chattaraj PK, Liu S. Rong C, et al. Phys Chem Chem Phys. 2015 Apr 28;17(16):11110-1. doi: 10.1039/c5cp90049b. Phys Chem Chem Phys. 2015. PMID: 25826700 No abstract available.

9

Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions.

Wu W, Wu Z, Rong C, Lu T, Huang Y, Liu S. Wu W, et al. Among authors: rong c. J Phys Chem A. 2015 Jul 23;119(29):8216-24. doi: 10.1021/acs.jpca.5b04309. Epub 2015 Jul 9. J Phys Chem A. 2015. PMID: 26125512

10

Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective.

Wu Z, Rong C, Lu T, Ayers PW, Liu S. Wu Z, et al. Among authors: rong c. Phys Chem Chem Phys. 2015 Oct 28;17(40):27052-61. doi: 10.1039/c5cp04442a. Epub 2015 Sep 28. Phys Chem Chem Phys. 2015. PMID: 26412416

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