Liu L - Search Results

1

Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio Analysis.

Liu L, Fang WH, Long R, Prezhdo OV. Liu L, et al. J Phys Chem Lett. 2018 Mar 1;9(5):1164-1171. doi: 10.1021/acs.jpclett.8b00177. Epub 2018 Feb 21. J Phys Chem Lett. 2018. PMID: 29461842

2

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. 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

3

Detailed mechanism for photoinduced cytosine dimerization: a semiclassical dynamics simulation.

Yuan S, Zhang W, Liu L, Dou Y, Fang W, Lo GV. Yuan S, et al. Among authors: liu l. J Phys Chem A. 2011 Nov 24;115(46):13291-7. doi: 10.1021/jp207550a. Epub 2011 Oct 28. J Phys Chem A. 2011. PMID: 21988470

4

Insights into mechanistic photodissociation of chloroacetone from a combination of electronic structure calculation and molecular dynamics simulation.

Shen L, Liu L, Cao J, Fang WH. Shen L, et al. Among authors: liu l. J Chem Phys. 2011 Nov 21;135(19):194305. doi: 10.1063/1.3660356. J Chem Phys. 2011. PMID: 22112080

5

Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: a comparative investigation of the isomerization in the gas and solution phases.

Cao J, Liu LH, Fang WH, Xie ZZ, Zhang Y. Cao J, et al. J Chem Phys. 2013 Apr 7;138(13):134306. doi: 10.1063/1.4798642. J Chem Phys. 2013. PMID: 23574226

6

Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.

Liu L, Xia S, Fang WH. Liu L, et al. J Phys Chem A. 2014 Oct 2;118(39):8977-85. doi: 10.1021/jp5019923. Epub 2014 May 2. J Phys Chem A. 2014. PMID: 24742337

7

Mechanistic insight into decomposition of 2H-azirines: electronic structure calculations and dynamics simulations.

Liu Y, Guan P, Wang Y, Liu L, Cao J. Liu Y, et al. Among authors: liu l. J Phys Chem A. 2015 Jan 8;119(1):67-78. doi: 10.1021/jp511208p. Epub 2014 Dec 22. J Phys Chem A. 2015. PMID: 25489983

8

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

9

Excited States and Photochemistry of Chromophores in the Photoactive Proteins Explored by the Combined Quantum Mechanical and Molecular Mechanical Calculations.

Liu L, Cui G, Fang WH. Liu L, et al. Adv Protein Chem Struct Biol. 2015;100:255-84. doi: 10.1016/bs.apcsb.2015.07.002. Epub 2015 Aug 13. Adv Protein Chem Struct Biol. 2015. PMID: 26415847 Review.

10

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. Among authors: liu l. J Chem Phys. 2015 Nov 21;143(19):194107. doi: 10.1063/1.4935800. J Chem Phys. 2015. PMID: 26590527

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