273 related articles for article (PubMed ID: 20450202)
1. Photodynamics of azomethane: a nonadiabatic surface-hopping study.
Sellner B; Ruckenbauer M; Stambolić I; Barbatti M; Aquino AJ; Lischka H
J Phys Chem A; 2010 Aug; 114(33):8778-85. PubMed ID: 20450202
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Photodynamics simulations of thymine: relaxation into the first excited singlet state.
Szymczak JJ; Barbatti M; Soo Hoo JT; Adkins JA; Windus TL; Nachtigallová D; Lischka H
J Phys Chem A; 2009 Nov; 113(45):12686-93. PubMed ID: 19691341
[TBL] [Abstract][Full Text] [Related]
4. Azomethane: nonadiabatic photodynamical simulations in solution.
Ruckenbauer M; Barbatti M; Sellner B; Muller T; Lischka H
J Phys Chem A; 2010 Dec; 114(48):12585-90. PubMed ID: 21070061
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study.
Antol I; Eckert-Maksić M; Barbatti M; Lischka H
J Chem Phys; 2007 Dec; 127(23):234303. PubMed ID: 18154378
[TBL] [Abstract][Full Text] [Related]
7. Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods.
Lan Z; Fabiano E; Thiel W
J Phys Chem B; 2009 Mar; 113(11):3548-55. PubMed ID: 19239209
[TBL] [Abstract][Full Text] [Related]
8. Study of the mechanism of the N-CO photodissociation in N,N-dimethylformamide by direct trajectory surface hopping simulations.
Eckert-Maksić M; Antol I
J Phys Chem A; 2009 Nov; 113(45):12582-90. PubMed ID: 19603774
[TBL] [Abstract][Full Text] [Related]
9. QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution.
Lan Z; Lu Y; Fabiano E; Thiel W
Chemphyschem; 2011 Jul; 12(10):1989-98. PubMed ID: 21674744
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophore.
Cui G; Lan Z; Thiel W
J Am Chem Soc; 2012 Jan; 134(3):1662-72. PubMed ID: 22175658
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments.
Toniolo A; Ciminelli C; Persico M; Martínez TJ
J Chem Phys; 2005 Dec; 123(23):234308. PubMed ID: 16392921
[TBL] [Abstract][Full Text] [Related]
14. The photodynamics of ethylene: a surface-hopping study on structural aspects.
Barbatti M; Ruckenbauer M; Lischka H
J Chem Phys; 2005 May; 122(17):174307. PubMed ID: 15910032
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
Araujo M; Lasorne B; Bearpark MJ; Robb MA
J Phys Chem A; 2008 Aug; 112(33):7489-91. PubMed ID: 18652435
[TBL] [Abstract][Full Text] [Related]
17. Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.
Indelli MT; Carli S; Ghirotti M; Chiorboli C; Ravaglia M; Garavelli M; Scandola F
J Am Chem Soc; 2008 Jun; 130(23):7286-99. PubMed ID: 18479107
[TBL] [Abstract][Full Text] [Related]
18. Can the nonadiabatic photodynamics of aminopyrimidine be a model for the ultrafast deactivation of adenine?
Barbatti M; Lischka H
J Phys Chem A; 2007 Apr; 111(15):2852-8. PubMed ID: 17388405
[TBL] [Abstract][Full Text] [Related]
19. Adiabatic and nonadiabatic dissociation of ethyl radical.
Hostettler JM; Bach A; Chen P
J Chem Phys; 2009 Jan; 130(3):034303. PubMed ID: 19173517
[TBL] [Abstract][Full Text] [Related]
20. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer.
Levine BG; Martínez TJ
J Phys Chem A; 2009 Nov; 113(46):12815-24. PubMed ID: 19813720
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
