136 related articles for article (PubMed ID: 27588819)
1. New Insight into the Photoisomerization Process of the Salicylidene Methylamine under Vacuum.
Zhao L; Liu J; Zhou P
J Phys Chem A; 2016 Sep; 120(38):7419-26. PubMed ID: 27588819
[TBL] [Abstract][Full Text] [Related]
2. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.
Xia SH; Xie BB; Fang Q; Cui G; Thiel W
Phys Chem Chem Phys; 2015 Apr; 17(15):9687-97. PubMed ID: 25711992
[TBL] [Abstract][Full Text] [Related]
3. The photoinduced isomerization mechanism of the 2-(1-(methylimino)methyl)-6-chlorophenol (SMAC): Nonadiabatic surface hopping dynamics simulations.
Zhao L; Liu J; Zhou P
J Chem Phys; 2018 Jul; 149(3):034309. PubMed ID: 30037240
[TBL] [Abstract][Full Text] [Related]
4. A theoretical study of the photodynamics of salicylidene-2-anthrylamine in acetonitrile solution.
Muriel WA; Botero-Cadavid JF; Cárdenas C; Rodríguez-Córdoba W
Phys Chem Chem Phys; 2018 Nov; 20(46):29399-29411. PubMed ID: 30451250
[TBL] [Abstract][Full Text] [Related]
5. Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations.
Nakayama A; Harabuchi Y; Yamazaki S; Taketsugu T
Phys Chem Chem Phys; 2013 Aug; 15(29):12322-39. PubMed ID: 23779067
[TBL] [Abstract][Full Text] [Related]
6. Excited-State Intramolecular Proton Transfer in a Blue Fluorescence Chromophore Induces Dual Emission.
Wu D; Guo WW; Liu XY; Cui G
Chemphyschem; 2016 Aug; 17(15):2340-7. PubMed ID: 27128380
[TBL] [Abstract][Full Text] [Related]
7. Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.
Li CX; Guo WW; Xie BB; Cui G
J Chem Phys; 2016 Aug; 145(7):074308. PubMed ID: 27544106
[TBL] [Abstract][Full Text] [Related]
8. Photochemical mechanism of 1,5-benzodiazepin-2-one: electronic structure calculations and nonadiabatic surface-hopping dynamics simulations.
Xia SH; Che M; Liu Y; Zhang Y; Cui G
Phys Chem Chem Phys; 2019 May; 21(19):10086-10094. PubMed ID: 31062014
[TBL] [Abstract][Full Text] [Related]
9. Mechanistic Insights into the Excited-State Intramolecular Proton Transfer (ESIPT) Process of 2-(2-Aminophenyl)naphthalene.
Wu J; Zhang X; Xia J; Zhou Z; Xia SH
J Phys Chem A; 2024 May; 128(19):3801-3811. PubMed ID: 38709493
[TBL] [Abstract][Full Text] [Related]
10. A CASSCF/CASPT2 insight into excited-state intramolecular proton transfer of four imidazole derivatives.
Li Y; Wang L; Guo X; Zhang J
J Comput Chem; 2015 Dec; 36(32):2374-80. PubMed ID: 26459226
[TBL] [Abstract][Full Text] [Related]
11. How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol.
Barata-Morgado R; Sánchez ML; Muñoz-Losa A; Martín ME; Olivares Del Valle FJ; Aguilar MA
J Phys Chem A; 2018 Mar; 122(11):3096-3106. PubMed ID: 29489369
[TBL] [Abstract][Full Text] [Related]
12. Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.
Asturiol D; Lasorne B; Robb MA; Blancafort L
J Phys Chem A; 2009 Sep; 113(38):10211-8. PubMed ID: 19722485
[TBL] [Abstract][Full Text] [Related]
13. Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer.
Jankowska J; Barbatti M; Sadlej J; Sobolewski AL
Phys Chem Chem Phys; 2017 Feb; 19(7):5318-5325. PubMed ID: 28155934
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).
Levine BG; Coe JD; Martínez TJ
J Phys Chem B; 2008 Jan; 112(2):405-13. PubMed ID: 18081339
[TBL] [Abstract][Full Text] [Related]
16. Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study.
Li Y; Liu F; Wang B; Su Q; Wang W; Morokuma K
J Chem Phys; 2016 Dec; 145(24):244311. PubMed ID: 28049297
[TBL] [Abstract][Full Text] [Related]
17. Ab initio trajectory surface-hopping study on ultrafast deactivation process of thiophene.
Cui G; Fang W
J Phys Chem A; 2011 Oct; 115(42):11544-50. PubMed ID: 21928804
[TBL] [Abstract][Full Text] [Related]
18. Photophysics of Schiff bases: theoretical study of salicylidene methylamine.
Jankowska J; Rode MF; Sadlej J; Sobolewski AL
Chemphyschem; 2012 Dec; 13(18):4287-94. PubMed ID: 23150465
[TBL] [Abstract][Full Text] [Related]
19. Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor.
Kazaryan A; Lan Z; Schäfer LV; Thiel W; Filatov M
J Chem Theory Comput; 2011 Jul; 7(7):2189-99. PubMed ID: 26606488
[TBL] [Abstract][Full Text] [Related]
20. Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.
Szefczyk B; Grabarek D; Walczak E; Andruniów T
J Comput Chem; 2017 Jul; 38(20):1799-1810. PubMed ID: 28512740
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]