Wang JB - Search Results

1

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. 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

2

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. Among authors: wang jb. J Comput Chem. 2008 Jan 30;29(2):198-210. doi: 10.1002/jcc.20773. J Comput Chem. 2008. PMID: 17557282

3

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: wang qd, wang jb. 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

4

ReaxFF molecular dynamics simulations of oxidation of toluene at high temperatures.

Cheng XM, Wang QD, Li JQ, Wang JB, Li XY. Cheng XM, et al. Among authors: wang qd, wang jb. J Phys Chem A. 2012 Oct 11;116(40):9811-8. doi: 10.1021/jp304040q. Epub 2012 Oct 3. J Phys Chem A. 2012. PMID: 22998396

5

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

6

Pressure-dependent rate rules for cycloaddition, intramolecular H-shift, and concerted elimination reactions of alkenyl peroxy radicals at low temperature.

Sun X, Zong W, Wang J, Li Z, Li X. Sun X, et al. Phys Chem Chem Phys. 2019 May 28;21(20):10693-10705. doi: 10.1039/c9cp01207a. Epub 2019 May 14. Phys Chem Chem Phys. 2019. PMID: 31086861

7

The kinetic model of cyclohexene-air combustion over a wide temperature range.

Lu H, Kong W, Zhang C, Wang J, Li X. Lu H, et al. RSC Adv. 2021 Dec 15;11(63):39907-39916. doi: 10.1039/d1ra07122j. eCollection 2021 Dec 13. RSC Adv. 2021. PMID: 35494125 Free PMC article.

8

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.

9

Numerical Investigations on the Molecular Reaction Model for Thermal Cracking of n-Decane at Supercritical Pressures.

Zhang L, Yin R, Wang J, Li X. Zhang L, et al. ACS Omega. 2022 Jun 20;7(26):22351-22362. doi: 10.1021/acsomega.2c01178. eCollection 2022 Jul 5. ACS Omega. 2022. PMID: 35811859 Free PMC article.

10

Modeling of Sandia Flame D with the non-adiabatic chemistry tabulation approach: the effects of different laminar flames on NO _X prediction.

Yue C, Wang J, Li X. Yue C, et al. RSC Adv. 2023 Feb 6;13(7):4590-4600. doi: 10.1039/d2ra06075b. eCollection 2023 Jan 31. RSC Adv. 2023. PMID: 36760275 Free PMC article.

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