275 related articles for article (PubMed ID: 29393948)
1. Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation.
Xu C; Gu FL; Zhu C
Phys Chem Chem Phys; 2018 Feb; 20(8):5606-5616. PubMed ID: 29393948
[TBL] [Abstract][Full Text] [Related]
2. Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation.
Xu C; Yu L; Zhu C; Yu J; Cao Z
Sci Rep; 2016 May; 6():26768. PubMed ID: 27221650
[TBL] [Abstract][Full Text] [Related]
3. Photoisomerization Reaction Mechanisms of o-Nitrophenol Revealed by Analyzing Intersystem Crossing Network at the MRCI Level.
Xu C; Yu L; Zhu C; Yu J
J Phys Chem A; 2015 Oct; 119(42):10441-50. PubMed ID: 26403230
[TBL] [Abstract][Full Text] [Related]
4. Internal conversion and intersystem crossing in α,β-enones: a combination of electronic structure calculations and dynamics simulations.
Cao J; Xie ZZ
Phys Chem Chem Phys; 2016 Mar; 18(9):6931-45. PubMed ID: 26882275
[TBL] [Abstract][Full Text] [Related]
5. Photorelaxation Pathways of 4-(
He Z; Xue R; Lei Y; Yu L; Zhu C
Molecules; 2020 May; 25(9):. PubMed ID: 32397393
[TBL] [Abstract][Full Text] [Related]
6. Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
Cui G; Thiel W
J Chem Phys; 2014 Sep; 141(12):124101. PubMed ID: 25273406
[TBL] [Abstract][Full Text] [Related]
7. Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing.
Schnappinger T; Kölle P; Marazzi M; Monari A; González L; de Vivie-Riedle R
Phys Chem Chem Phys; 2017 Sep; 19(37):25662-25670. PubMed ID: 28905947
[TBL] [Abstract][Full Text] [Related]
8. Sub-500 fs electronically nonadiabatic chemical dynamics of energetic molecules from the S
Ghosh J; Gajapathy H; Konar A; Narasimhaiah GM; Bhattacharya A
J Chem Phys; 2017 Nov; 147(20):204302. PubMed ID: 29195277
[TBL] [Abstract][Full Text] [Related]
9. Ultrafast Intersystem Crossing Dynamics of 6-Selenoguanine in Water.
Valverde D; Mai S; Canuto S; Borin AC; González L
JACS Au; 2022 Jul; 2(7):1699-1711. PubMed ID: 35911449
[TBL] [Abstract][Full Text] [Related]
10. Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry.
Bera A; Ghosh J; Bhattacharya A
J Chem Phys; 2017 Jul; 147(4):044308. PubMed ID: 28764390
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Theoretical Studies on the Excited-State Decay Mechanism of Homomenthyl Salicylate in a Gas Phase and an Acetonitrile Solution.
Chang XP; Zhang TS; Cui G
J Phys Chem A; 2022 Jan; 126(1):16-28. PubMed ID: 34963284
[TBL] [Abstract][Full Text] [Related]
13. Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.
Liu L; Xia S; Fang WH
J Phys Chem A; 2014 Oct; 118(39):8977-85. PubMed ID: 24742337
[TBL] [Abstract][Full Text] [Related]
14. Nonadiabatic dynamics simulations on internal conversion and intersystem crossing processes in gold(i) compounds.
Liu XY; Li ZW; Fang WH; Cui G
J Chem Phys; 2018 Jul; 149(4):044301. PubMed ID: 30068207
[TBL] [Abstract][Full Text] [Related]
15. Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers.
Guo X; Lan Z; Cao Z
Phys Chem Chem Phys; 2013 Jul; 15(26):10777-82. PubMed ID: 23689465
[TBL] [Abstract][Full Text] [Related]
16. Ab initio study of ultrafast photochemical reaction dynamics of phenol blue.
Kobayashi T; Shiga M; Murakami A; Nakamura S
J Am Chem Soc; 2007 May; 129(20):6405-24. PubMed ID: 17472374
[TBL] [Abstract][Full Text] [Related]
17. Quantum chemical interpretation of ultrafast luminescence decay and intersystem crossings in rhenium(I) carbonyl bipyridine complexes.
Gourlaouen C; Eng J; Otsuka M; Gindensperger E; Daniel C
J Chem Theory Comput; 2015 Jan; 11(1):99-110. PubMed ID: 26574208
[TBL] [Abstract][Full Text] [Related]
18. Surface hopping dynamics reveal ultrafast triplet generation promoted by S
M J C; Nag P; Vennapusa SR
Phys Chem Chem Phys; 2021 Sep; 23(36):20183-20192. PubMed ID: 34473155
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture.
Mai S; Marquetand P; González L
J Phys Chem Lett; 2016 Jun; 7(11):1978-83. PubMed ID: 27167106
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]