152 related articles for article (PubMed ID: 32390027)
1. Quantum yields of singlet and triplet chemiexcitation of dimethyl 1,2-dioxetane: ab initio nonadiabatic molecular dynamic simulations.
Yue L; Yu L; Xu C; Zhu C; Liu Y
Phys Chem Chem Phys; 2020 May; 22(20):11440-11451. PubMed ID: 32390027
[TBL] [Abstract][Full Text] [Related]
2. How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?
Vacher M; Farahani P; Valentini A; Frutos LM; Karlsson HO; Fdez Galván I; Lindh R
J Phys Chem Lett; 2017 Aug; 8(16):3790-3794. PubMed ID: 28749694
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. 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]
6. 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]
7. Theoretical Study of the Thermolysis Reaction and Chemiexcitation of Coelenterazine Dioxetanes.
Magalhães CM; Esteves da Silva JCG; Pinto da Silva L
J Phys Chem A; 2022 Jun; 126(22):3486-3494. PubMed ID: 35612291
[TBL] [Abstract][Full Text] [Related]
8. Mechanism of the O
Wang YT; Liu XY; Fang WH
J Comput Chem; 2019 Jan; 40(2):447-455. PubMed ID: 30379329
[TBL] [Abstract][Full Text] [Related]
9. Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes.
Fdez Galván I; Brakestad A; Vacher M
Phys Chem Chem Phys; 2022 Jan; 24(3):1638-1653. PubMed ID: 34989378
[TBL] [Abstract][Full Text] [Related]
10. Singlet and triplet potential surfaces for the O2+C2H4 reaction.
Park K; West A; Raheja E; Sellner B; Lischka H; Windus TL; Hase WL
J Chem Phys; 2010 Nov; 133(18):184306. PubMed ID: 21073222
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Dynamical Insights into the Decomposition of 1,2-Dioxetane.
Vacher M; Brakestad A; Karlsson HO; Fdez Galván I; Lindh R
J Chem Theory Comput; 2017 Jun; 13(6):2448-2457. PubMed ID: 28437611
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of
Zhou JG; Shu Y; Wang Y; Leszczynski J; Prezhdo O
J Phys Chem Lett; 2024 Feb; 15(7):1846-1855. PubMed ID: 38334951
[TBL] [Abstract][Full Text] [Related]
15. Nonadiabatic dynamics simulation of photoinduced ring-opening reaction of 2(5
Xie BB; Liu BL; Tang XF; Tang D; Shen L; Fang WH
Phys Chem Chem Phys; 2021 Apr; 23(16):9867-9877. PubMed ID: 33908501
[TBL] [Abstract][Full Text] [Related]
16. Revisiting the Nonadiabatic Process in 1,2-Dioxetane.
Farahani P; Roca-Sanjuán D; Zapata F; Lindh R
J Chem Theory Comput; 2013 Dec; 9(12):5404-11. PubMed ID: 26592278
[TBL] [Abstract][Full Text] [Related]
17. Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones.
Augusto FA; Francés-Monerris A; Fdez Galván I; Roca-Sanjuán D; Bastos EL; Baader WJ; Lindh R
Phys Chem Chem Phys; 2017 Feb; 19(5):3955-3962. PubMed ID: 28106183
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Solvent cage effects: basis of a general mechanism for efficient chemiluminescence.
Bastos EL; da Silva SM; Baader WJ
J Org Chem; 2013 May; 78(9):4432-9. PubMed ID: 23551289
[TBL] [Abstract][Full Text] [Related]
20. Direct dynamics simulation of dioxetane formation and decomposition via the singlet ·O-O-CH2-CH2· biradical: non-RRKM dynamics.
Sun R; Park K; de Jong WA; Lischka H; Windus TL; Hase WL
J Chem Phys; 2012 Jul; 137(4):044305. PubMed ID: 22852616
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
