Xie BB - Search Results

1

Quantum mechanics/molecular mechanics studies on excited state decay pathways of 5-azacytosine in aqueous solution.

Chang XP, Zheng L, Yu L, Zhang TS, Xie BB. Chang XP, et al. Among authors: xie bb. Phys Chem Chem Phys. 2022 Nov 23;24(45):27793-27803. doi: 10.1039/d2cp03661d. Phys Chem Chem Phys. 2022. PMID: 36349893

2

Decay dynamics of α,β-carboxylic methyl esters (CH3OCOCH:CHR) in the lower-lying excited states--resonance Raman and complete active space self-consistent field calculation study.

Ouyang B, Xue JD, Zheng X, Xie BB, Fang WH. Ouyang B, et al. Among authors: xie bb. J Chem Phys. 2014 Oct 7;141(13):134312. doi: 10.1063/1.4896999. J Chem Phys. 2014. PMID: 25296811

3

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: xie bb. Phys Chem Chem Phys. 2015 Apr 21;17(15):9687-97. doi: 10.1039/c5cp00101c. Phys Chem Chem Phys. 2015. PMID: 25711992

4

Photoprotection Mechanism of p-Methoxy Methylcinnamate: A CASPT2 Study.

Chang XP, Li CX, Xie BB, Cui G. Chang XP, et al. Among authors: xie bb. J Phys Chem A. 2015 Nov 25;119(47):11488-97. doi: 10.1021/acs.jpca.5b08434. Epub 2015 Nov 12. J Phys Chem A. 2015. PMID: 26513466

5

Photophysics of Auramine-O: electronic structure calculations and nonadiabatic dynamics simulations.

Xie BB, Xia SH, Chang XP, Cui G. Xie BB, et al. Phys Chem Chem Phys. 2016 Jan 7;18(1):403-13. doi: 10.1039/c5cp05312a. Epub 2015 Nov 30. Phys Chem Chem Phys. 2016. PMID: 26615798

6

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.

Li CX, Guo WW, Xie BB, Cui G. Li CX, et al. Among authors: xie bb. J Chem Phys. 2016 Aug 21;145(7):074308. doi: 10.1063/1.4961261. J Chem Phys. 2016. PMID: 27544106

7

The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution.

Xie BB, Wang Q, Guo WW, Cui G. Xie BB, et al. Phys Chem Chem Phys. 2017 Mar 15;19(11):7689-7698. doi: 10.1039/c7cp00478h. Phys Chem Chem Phys. 2017. PMID: 28256672

8

Short-time dynamics and decay mechanism of 2(1H)-pyridinone upon excitation to the light-absorbing S₄(2¹𝝅𝝅^*) state.

Zhang TS, Xue JD, Zheng X, Xie BB, Fang WH. Zhang TS, et al. Among authors: xie bb. J Chem Phys. 2017 Mar 21;146(11):114305. doi: 10.1063/1.4977763. J Chem Phys. 2017. PMID: 28330344

9

Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N₃: a QM/MM nonadiabatic dynamics simulation.

Xie BB , Cui CX , Fang WH , Cui G . Xie BB , et al. Phys Chem Chem Phys. 2018 Jul 25;20(29):19363-19372. doi: 10.1039/c8cp02651c. Phys Chem Chem Phys. 2018. PMID: 29998234

10

Computational Study on the Excited-State Decay of 5-Methylcytosine and 5-Hydroxymethylcytosine: The Common Form of DNA Methylation and Its Oxidation Product.

Ai Y, Xing J, Zhang A, Zhao C, Liu Y, Xie B, Chen W, Cui G, Lu Z, Wang X. Ai Y, et al. J Phys Chem B. 2018 Nov 21;122(46):10424-10434. doi: 10.1021/acs.jpcb.8b07830. Epub 2018 Nov 12. J Phys Chem B. 2018. PMID: 30365328

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