Ren HS - Search Results

1

Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

Ren HS, Ming MJ, Ma JY, Li XY. Ren HS, et al. J Phys Chem A. 2013 Aug 22;117(33):8017-25. doi: 10.1021/jp4046935. Epub 2013 Aug 13. J Phys Chem A. 2013. PMID: 23895675

2

A modified two-sphere model for solvent reorganization energy in electron transfer.

Wu HY, Ren HS, Zhu Q, Li XY. Wu HY, et al. Among authors: ren hs. Phys Chem Chem Phys. 2012 Apr 28;14(16):5538-44. doi: 10.1039/c2cp23759h. Epub 2012 Mar 16. Phys Chem Chem Phys. 2012. PMID: 22428165

3

Spectral shifts of the n → π* and π → π* transitions of uracil based on a modified form of solvent reorganization energy.

Ren HS, Li YK, Zhu Q, Zhu J, Li XY. Ren HS, et al. Phys Chem Chem Phys. 2012 Oct 14;14(38):13284-91. doi: 10.1039/c2cp41047h. Phys Chem Chem Phys. 2012. PMID: 22918130

4

Multistate Density Functional Theory for Effective Diabatic Electronic Coupling.

Ren H, Provorse MR, Bao P, Qu Z, Gao J. Ren H, et al. J Phys Chem Lett. 2016 Jun 16;7(12):2286-93. doi: 10.1021/acs.jpclett.6b00915. Epub 2016 Jun 7. J Phys Chem Lett. 2016. PMID: 27248004 Free PMC article.

5

Full-dimensional quantum mechanics calculations for the spectroscopic characterization of the isomerization transition states of HOCO/DOCO systems.

Ma D , Ren H , Ma J . Ma D , et al. Phys Chem Chem Phys. 2018 Feb 14;20(7):4732-4738. doi: 10.1039/c7cp07673h. Phys Chem Chem Phys. 2018. PMID: 29379927

6

Relationship between Energetic Performance and Clustering Effects on Incremental Nitramine Groups: A Theoretical Perspective.

Xu H, Peng L, Wang J, Ren H, Zhu Q, Li X. Xu H, et al. J Phys Chem A. 2019 Jan 31;123(4):742-749. doi: 10.1021/acs.jpca.8b10647. Epub 2019 Jan 23. J Phys Chem A. 2019. PMID: 30615442

7

Absorption Spectra of Acetylene, Vinylidene, and Their Deuterated Isotopologues on Ab Initio Potential Energy and Dipole Moment Surfaces.

Chang J, Guo L, Wang R, Mou J, Ren H, Ma J, Guo H. Chang J, et al. J Phys Chem A. 2019 May 16;123(19):4232-4240. doi: 10.1021/acs.jpca.9b02662. Epub 2019 May 2. J Phys Chem A. 2019. PMID: 31010288

8

New Insight on Hydrogen Evolution Reaction Activity of MoP₂ from Theoretical Perspective.

Gao Y, Li H, Wang J, Ma J, Ren H. Gao Y, et al. Nanomaterials (Basel). 2019 Sep 5;9(9):1270. doi: 10.3390/nano9091270. Nanomaterials (Basel). 2019. PMID: 31492045 Free PMC article.

9

Hydrogen evolution reaction activity related to the facet-dependent electrocatalytic performance of NiCoP from first principles.

Mou J, Gao Y, Wang J, Ma J, Ren H. Mou J, et al. RSC Adv. 2019 Apr 15;9(21):11755-11761. doi: 10.1039/c9ra01560d. eCollection 2019 Apr 12. RSC Adv. 2019. PMID: 35516993 Free PMC article.

10

First-principles study of the adsorption behaviors of Li atoms and LiF on the CF _x (x = 1.0, 0.9, 0.8, 0.5, ∼0.0) surface.

Fan R, Yang B, Li Z, Ma D, Yuan W, Ma J, Ren H. Fan R, et al. RSC Adv. 2020 Aug 28;10(53):31881-31888. doi: 10.1039/d0ra03635h. eCollection 2020 Aug 26. RSC Adv. 2020. PMID: 35518174 Free PMC article.

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