Fang Q - Search Results

1

The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles.

Xie BB, Liu XY, Fang Q, Fang WH, Cui G. Xie BB, et al. Among authors: fang wh, fang q. J Phys Chem Lett. 2017 Mar 2;8(5):1019-1024. doi: 10.1021/acs.jpclett.6b02897. Epub 2017 Feb 16. J Phys Chem Lett. 2017. PMID: 28196326

2

Photodissociation of phosgene: Theoretical evidence for the ultrafast and synchronous concerted three-body process.

Fang Q, Zhang F, Shen L, Fang WH, Luo Y. Fang Q, et al. Among authors: fang wh. J Chem Phys. 2009 Oct 28;131(16):164306. doi: 10.1063/1.3253048. J Chem Phys. 2009. PMID: 19894946

3

The conical intersection dominates the generation of tropospheric hydroxyl radicals from NO2 and H2O.

Fang Q, Han J, Jiang J, Chen X, Fang W. Fang Q, et al. Among authors: fang w. J Phys Chem A. 2010 Apr 8;114(13):4601-8. doi: 10.1021/jp911455r. J Phys Chem A. 2010. PMID: 20235498

4

Photoisomerization mechanism of 4-methylpyridine explored by electronic structure calculations and nonadiabatic dynamics simulations.

Cao J, Fang Q, Fang WH. Cao J, et al. Among authors: fang wh, fang q. J Chem Phys. 2011 Jan 28;134(4):044307. doi: 10.1063/1.3547207. J Chem Phys. 2011. PMID: 21280725

5

Synchronous concerted multiple-body photodissociation of oxalyl chloride explored by ab initio-based dynamics simulations.

Fang Q, Shen L, Fang WH. Fang Q, et al. Among authors: fang wh. J Chem Phys. 2013 Jul 14;139(2):024310. doi: 10.1063/1.4812783. J Chem Phys. 2013. PMID: 23862946

6

Mechanistic photodecarboxylation of pyruvic acid: excited-state proton transfer and three-state intersection.

Chang XP, Fang Q, Cui G. Chang XP, et al. Among authors: fang q. J Chem Phys. 2014 Oct 21;141(15):154311. doi: 10.1063/1.4898085. J Chem Phys. 2014. PMID: 25338900

7

Computational photochemistry of the azobenzene scaffold of Sudan I and Orange II dyes: excited-state proton transfer and deactivation via conical intersections.

Guan PJ, Cui G, Fang Q. Guan PJ, et al. Among authors: fang q. Chemphyschem. 2015 Mar 16;16(4):805-11. doi: 10.1002/cphc.201402743. Epub 2015 Jan 8. Chemphyschem. 2015. PMID: 25572608

8

Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.

Xia SH, Xie BB, Fang Q, Cui G, Thiel W. Xia SH, et al. Among authors: fang q. Phys Chem Chem Phys. 2015 Apr 21;17(15):9687-97. doi: 10.1039/c5cp00101c. Phys Chem Chem Phys. 2015. PMID: 25711992

9

Excited-state ring-opening mechanism of cyclic ketones: a MS-CASPT2//CASSCF study.

Xia SH, Liu XY, Fang Q, Cui G. Xia SH, et al. Among authors: fang q. J Phys Chem A. 2015 Apr 16;119(15):3569-76. doi: 10.1021/acs.jpca.5b00302. Epub 2015 Apr 1. J Phys Chem A. 2015. PMID: 25807113

10

Photodissociation dynamics of CH3C(O)SH in argon matrix: A QM/MM nonadiabatic dynamics simulation.

Xia SH, Liu XY, Fang Q, Cui G. Xia SH, et al. Among authors: fang q. J Chem Phys. 2015 Nov 21;143(19):194303. doi: 10.1063/1.4935598. J Chem Phys. 2015. PMID: 26590533

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