Xie BB - Search Results

1

Excited-State Decay and Photolysis of O-Nitrophenol after Proton Transfer. II: A Theoretical Investigation in the Microsolvated Atmospheric Environment.

Yin BW, Wang JL, Dai JL, Jian JW, Jia PK, Cui G, Xie BB. Yin BW, et al. Among authors: xie bb. J Phys Chem A. 2024 Oct 31;128(43):9486-9496. doi: 10.1021/acs.jpca.4c04892. Epub 2024 Oct 17. J Phys Chem A. 2024. PMID: 39418636

2

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

3

Surface-hopping dynamics simulations of malachite green: a triphenylmethane dye.

Xie BB, Xia SH, Liu LH, Cui G. Xie BB, et al. J Phys Chem A. 2015 Jun 4;119(22):5607-17. doi: 10.1021/acs.jpca.5b02549. Epub 2015 May 22. J Phys Chem A. 2015. PMID: 25945894

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

Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation.

Xie B, Liu L, Cui G, Fang WH, Cao J, Feng W, Li XQ. Xie B, et al. J Chem Phys. 2015 Nov 21;143(19):194107. doi: 10.1063/1.4935800. J Chem Phys. 2015. PMID: 26590527

6

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

7

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

8

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. 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

9

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

10

Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct ab Initio QTMF Approach.

Xie B, Cui G, Fang WH. Xie B, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2717-2729. doi: 10.1021/acs.jctc.7b00153. Epub 2017 May 4. J Chem Theory Comput. 2017. PMID: 28437107

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