517 related articles for article (PubMed ID: 26081715)
1. Probing the π→π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation.
Yu L; Xu C; Zhu C
Phys Chem Chem Phys; 2015 Jul; 17(27):17646-60. PubMed ID: 26081715
[TBL] [Abstract][Full Text] [Related]
2. Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations.
Xu C; Yu L; Gu FL; Zhu C
Phys Chem Chem Phys; 2018 Sep; 20(37):23885-23897. PubMed ID: 30019063
[TBL] [Abstract][Full Text] [Related]
3. Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: trans↔cis photoisomerization in azobenzene.
Yu L; Xu C; Lei Y; Zhu C; Wen Z
Phys Chem Chem Phys; 2014 Dec; 16(47):25883-95. PubMed ID: 25354307
[TBL] [Abstract][Full Text] [Related]
4. Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.
Gan Y; Yue L; Guo X; Zhu C; Cao Z
Phys Chem Chem Phys; 2017 May; 19(19):12094-12106. PubMed ID: 28443858
[TBL] [Abstract][Full Text] [Related]
5. Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states.
Wang L; Xu W; Yi C; Wang X
J Mol Graph Model; 2009 Apr; 27(7):792-6. PubMed ID: 19128994
[TBL] [Abstract][Full Text] [Related]
6. Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state.
Pederzoli M; Pittner J; Barbatti M; Lischka H
J Phys Chem A; 2011 Oct; 115(41):11136-43. PubMed ID: 21688804
[TBL] [Abstract][Full Text] [Related]
7. Photoisomerization-mechanism-associated excited-state hydrogen transfer in 2'-hydroxychalcone revealed by on-the-fly trajectory surface-hopping molecular dynamics simulation.
Hu Y; Yue L; Gu FL; Zhu C
Phys Chem Chem Phys; 2021 Feb; 23(7):4300-4310. PubMed ID: 33587072
[TBL] [Abstract][Full Text] [Related]
8. 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
J Chem Phys; 2013 Apr; 138(13):134306. PubMed ID: 23574226
[TBL] [Abstract][Full Text] [Related]
9. Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.
Yue L; Yu L; Xu C; Lei Y; Liu Y; Zhu C
Chemphyschem; 2017 May; 18(10):1274-1287. PubMed ID: 28213950
[TBL] [Abstract][Full Text] [Related]
10. 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
J Phys Chem A; 2011 Sep; 115(35):10027-34. PubMed ID: 21786808
[TBL] [Abstract][Full Text] [Related]
11. Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations.
Zheng X; Zhai G; Gao W; Lei Y; Yu L; Zhu C
Phys Chem Chem Phys; 2016 Apr; 18(13):8971-9. PubMed ID: 26964881
[TBL] [Abstract][Full Text] [Related]
12. Performance of TDDFT with and without spin-flip in trajectory surface hopping dynamics: cis-trans azobenzene photoisomerization.
Yue L; Liu Y; Zhu C
Phys Chem Chem Phys; 2018 Oct; 20(37):24123-24139. PubMed ID: 30206584
[TBL] [Abstract][Full Text] [Related]
13. Trajectory surface hopping molecular dynamics simulations for retinal protonated Schiff-base photoisomerization.
Liu Y; Zhu C
Phys Chem Chem Phys; 2021 Oct; 23(41):23861-23874. PubMed ID: 34651159
[TBL] [Abstract][Full Text] [Related]
14. Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal.
Chung WC; Nanbu S; Ishida T
J Phys Chem A; 2010 Aug; 114(32):8190-201. PubMed ID: 20666503
[TBL] [Abstract][Full Text] [Related]
15. Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene.
Gao AH; Li B; Zhang PY; Han KL
J Chem Phys; 2012 Nov; 137(20):204305. PubMed ID: 23206001
[TBL] [Abstract][Full Text] [Related]
16. Enhanced photoswitching of bridged azobenzene studied by nonadiabatic ab initio simulation.
Böckmann M; Doltsinis NL; Marx D
J Chem Phys; 2012 Dec; 137(22):22A505. PubMed ID: 23249042
[TBL] [Abstract][Full Text] [Related]
17. Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization.
Ye L; Xu C; Gu FL; Zhu C
J Comput Chem; 2020 Mar; 41(7):635-645. PubMed ID: 31743473
[TBL] [Abstract][Full Text] [Related]
18. Photodynamics and time-resolved fluorescence of azobenzene in solution: a mixed quantum-classical simulation.
Cusati T; Granucci G; Persico M
J Am Chem Soc; 2011 Apr; 133(13):5109-23. PubMed ID: 21401136
[TBL] [Abstract][Full Text] [Related]
19. Excited-state E → Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbene.
Yang M; Huo C; Li A; Lei Y; Yu L; Zhu C
Phys Chem Chem Phys; 2017 May; 19(19):12185-12198. PubMed ID: 28447676
[TBL] [Abstract][Full Text] [Related]
20. Superior Z→E and E→Z photoswitching dynamics of dihydrodibenzodiazocine, a bridged azobenzene, by S1(nπ*) excitation at λ = 387 and 490 nm.
Siewertsen R; Schönborn JB; Hartke B; Renth F; Temps F
Phys Chem Chem Phys; 2011 Jan; 13(3):1054-63. PubMed ID: 21072405
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]