Ma JY - 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. Among authors: ma jy. 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

Continuous medium theory for nonequilibrium solvation: III. Solvation shift by monopole approximation and multipole expansion in spherical cavity.

Zhu Q, Fu KX, Li XY, Gong Z, Ma JY. Zhu Q, et al. Among authors: ma jy. J Comput Chem. 2005 Mar;26(4):399-409. doi: 10.1002/jcc.20178. J Comput Chem. 2005. PMID: 15651032

3

Continuous medium theory for nonequilibrium solvation: IV. Solvent reorganization energy of electron transfer based on conductor-like screening model.

Fu KX, Zhu Q, Li XY, Gong Z, Ma JY, He RX. Fu KX, et al. Among authors: ma jy. J Comput Chem. 2006 Feb;27(3):368-74. doi: 10.1002/jcc.20347. J Comput Chem. 2006. PMID: 16380944

4

A study on orientation and absorption spectrum of interfacial molecules by using continuum model.

Ma JY, Wang JB, Li XY, Huang Y, Zhu Q, Fu KX. Ma JY, et al. J Comput Chem. 2008 Jan 30;29(2):198-210. doi: 10.1002/jcc.20773. J Comput Chem. 2008. PMID: 17557282

5

Polarizable continuum model associated with the self-consistent-reaction field for molecular adsorbates at the interface.

Wang JB, Ma JY, Li XY. Wang JB, et al. Among authors: ma jy. Phys Chem Chem Phys. 2010 Jan 7;12(1):207-14. doi: 10.1039/b914652k. Epub 2009 Nov 7. Phys Chem Chem Phys. 2010. PMID: 20024461

6

Nonequilibrium solvation energy by means of constrained equilibrium thermodynamics and its application to self-exchange electron transfer reactions.

Li XY, Wang QD, Wang JB, Ma JY, Fu KX, He FC. Li XY, et al. Among authors: ma jy. Phys Chem Chem Phys. 2010 Feb 14;12(6):1341-50. doi: 10.1039/b908704d. Epub 2009 Dec 18. Phys Chem Chem Phys. 2010. PMID: 20119612

7

Full-dimensional quantum dynamics of vibrationally mediated photodissociation of NH3 and ND3 on coupled ab initio potential energy surfaces: absorption spectra and NH2(Ã(2)A1)/NH2(X̃(2)B1) branching ratios.

Ma J, Xie C, Zhu X, Yarkony DR, Xie D, Guo H. Ma J, et al. J Phys Chem A. 2014 Dec 26;118(51):11926-34. doi: 10.1021/jp5057122. Epub 2014 Jul 25. J Phys Chem A. 2014. PMID: 25036988

8

State-Resolved Quantum Dynamics of Photodetachment of HCO2(-)/DCO2(-) on an Accurate Global Potential Energy Surface.

Zou L, Li J, Wang H, Ma J, Guo H. Zou L, et al. J Phys Chem A. 2015 Jul 16;119(28):7316-24. doi: 10.1021/jp512557k. Epub 2015 Jan 30. J Phys Chem A. 2015. PMID: 25607218

9

From ab initio potential energy surfaces to state-resolved reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O((3)P)] reactions.

Li J, Jiang B, Song H, Ma J, Zhao B, Dawes R, Guo H. Li J, et al. J Phys Chem A. 2015 May 21;119(20):4667-87. doi: 10.1021/acs.jpca.5b02510. Epub 2015 May 7. J Phys Chem A. 2015. PMID: 25886142

10

Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy Surface.

Guo L, Han H, Ma J, Guo H. Guo L, et al. J Phys Chem A. 2015 Aug 6;119(31):8488-96. doi: 10.1021/acs.jpca.5b05061. Epub 2015 Jul 23. J Phys Chem A. 2015. PMID: 26107090

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