Fang WH - Search Results

1

Unravelling the Effects of A-Site Cations on Nonradiative Electron-Hole Recombination in Lead Bromide Perovskites: Time-Domain ab Initio Analysis.

He J, Fang WH, Long R. He J, et al. Among authors: fang wh. J Phys Chem Lett. 2018 Sep 6;9(17):4834-4840. doi: 10.1021/acs.jpclett.8b02115. Epub 2018 Aug 13. J Phys Chem Lett. 2018. PMID: 30095268

2

Insights into photodissociation dynamics of propionyl chloride from ab initio calculations and molecular dynamics simulations.

Chen SL, Fang WH. Chen SL, et al. Among authors: fang wh. J Phys Chem A. 2006 Jan 26;110(3):944-50. doi: 10.1021/jp0547257. J Phys Chem A. 2006. PMID: 16419994

3

Probing photophysical and photochemical processes of benzoic acid from ab initio calculations.

Li J, Zhang F, Fang WH. Li J, et al. Among authors: fang wh. J Phys Chem A. 2005 Sep 1;109(34):7718-24. doi: 10.1021/jp052837s. J Phys Chem A. 2005. PMID: 16834147

4

Insights into the photochemical processes of ClC(O)SCl from ab initio calculations.

Lin L, Ding WJ, Fang WH, Liu RZ. Lin L, et al. Among authors: fang wh. J Phys Chem A. 2006 Jul 20;110(28):8744-9. doi: 10.1021/jp054497g. J Phys Chem A. 2006. PMID: 16836436

5

Insights into mechanistic photodissociation of acetyl chloride by ab initio calculations and molecular dynamics simulations.

Chen SL, Fang WH. Chen SL, et al. Among authors: fang wh. J Phys Chem A. 2007 Sep 27;111(38):9355-61. doi: 10.1021/jp073875+. Epub 2007 Aug 7. J Phys Chem A. 2007. PMID: 17683127

6

Conical intersection is responsible for the fluorescence disappearance below 365 nm in cyclopropanone.

Cui G, Ai Y, Fang W. Cui G, et al. J Phys Chem A. 2010 Jan 21;114(2):730-4. doi: 10.1021/jp908936u. J Phys Chem A. 2010. PMID: 19873995

7

Why iron? A spin-polarized conceptual density functional theory study on metal-binding specificity of porphyrin.

Feng XT, Yu JG, Liu RZ, Lei M, Fang WH, De Proft F, Liu S. Feng XT, et al. Among authors: fang wh. J Phys Chem A. 2010 Jun 3;114(21):6342-9. doi: 10.1021/jp102607d. J Phys Chem A. 2010. PMID: 20450212

8

Ab initio based surface-hopping dynamics study on ultrafast internal conversion in cyclopropanone.

Cui G, Fang W. Cui G, et al. J Phys Chem A. 2011 Mar 10;115(9):1547-55. doi: 10.1021/jp110632g. Epub 2011 Feb 14. J Phys Chem A. 2011. PMID: 21322652

9

Probing highly efficient photoisomerization of a bridged azobenzene by a combination of CASPT2//CASSCF calculation with semiclassical dynamics simulation.

Liu L, Yuan S, Fang WH, Zhang Y. Liu L, et al. Among authors: fang wh. J Phys Chem A. 2011 Sep 8;115(35):10027-34. doi: 10.1021/jp203704x. Epub 2011 Aug 4. J Phys Chem A. 2011. PMID: 21786808

10

Adiabatic and nonadiabatic bond cleavages in Norrish type I reaction.

Cui G, Sun Z, Fang W. Cui G, et al. J Phys Chem A. 2011 Sep 15;115(36):10146-53. doi: 10.1021/jp2053025. Epub 2011 Aug 23. J Phys Chem A. 2011. PMID: 21823611

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