179 related articles for article (PubMed ID: 32024358)
1. Direct Dynamics Simulations of the Unimolecular Decomposition of the Randomly Excited
Yao Y; Lakshmanan S; Pratihar S; Hase WL
J Phys Chem A; 2020 Mar; 124(9):1821-1828. PubMed ID: 32024358
[TBL] [Abstract][Full Text] [Related]
2. Direct Dynamics Simulations of the CH
Lakshmanan S; Pratihar S; Hase WL
J Phys Chem A; 2019 May; 123(20):4360-4369. PubMed ID: 31034236
[TBL] [Abstract][Full Text] [Related]
3. Direct Dynamics Simulation of the Thermal
Lakshmanan S; Pratihar S; Machado FBC; Hase WL
J Phys Chem A; 2018 May; 122(21):4808-4818. PubMed ID: 29697979
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics.
Malpathak S; Ma X; Hase WL
J Chem Phys; 2018 Apr; 148(16):164309. PubMed ID: 29716233
[TBL] [Abstract][Full Text] [Related]
6. Nonstatistical Reaction Dynamics.
Jayee B; Hase WL
Annu Rev Phys Chem; 2020 Apr; 71():289-313. PubMed ID: 32312190
[TBL] [Abstract][Full Text] [Related]
7. Post-transition state dynamics for propene ozonolysis: Intramolecular and unimolecular dynamics of molozonide.
Vayner G; Addepalli SV; Song K; Hase WL
J Chem Phys; 2006 Jul; 125(1):014317. PubMed ID: 16863308
[TBL] [Abstract][Full Text] [Related]
8. Is CH
Jayee B; Malpathak S; Ma X; Hase WL
J Chem Phys; 2019 Nov; 151(18):184110. PubMed ID: 31731854
[TBL] [Abstract][Full Text] [Related]
9. Unimolecular Decay of Criegee Intermediates to OH Radical Products: Prompt and Thermal Decay Processes.
Lester MI; Klippenstein SJ
Acc Chem Res; 2018 Apr; 51(4):978-985. PubMed ID: 29613756
[TBL] [Abstract][Full Text] [Related]
10. Comparison of Exponential and Biexponential Models of the Unimolecular Decomposition Probability for the Hinshelwood-Lindemann Mechanism.
Smith PW; Jayee B; Hase WL
J Phys Chem Lett; 2020 Apr; 11(7):2772-2774. PubMed ID: 32146814
[TBL] [Abstract][Full Text] [Related]
11. Perspective: chemical dynamics simulations of non-statistical reaction dynamics.
Ma X; Hase WL
Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320906
[TBL] [Abstract][Full Text] [Related]
12. Computational Chemical Kinetics for the Reaction of Criegee Intermediate CH
Raghunath P; Lee YP; Lin MC
J Phys Chem A; 2017 May; 121(20):3871-3878. PubMed ID: 28453276
[TBL] [Abstract][Full Text] [Related]
13. Potential energy surface and unimolecular dynamics of stretched n-butane.
Lourderaj U; McAfee JL; Hase WL
J Chem Phys; 2008 Sep; 129(9):094701. PubMed ID: 19044880
[TBL] [Abstract][Full Text] [Related]
14. Cyclohexane isomerization. Unimolecular dynamics of the twist-boat intermediate.
Kakhiani K; Lourderaj U; Hu W; Birney D; Hase WL
J Phys Chem A; 2009 Apr; 113(16):4570-80. PubMed ID: 19290605
[TBL] [Abstract][Full Text] [Related]
15. Use of Direct Dynamics Simulations to Determine Unimolecular Reaction Paths and Arrhenius Parameters for Large Molecules.
Yang L; Sun R; Hase WL
J Chem Theory Comput; 2011 Nov; 7(11):3478-83. PubMed ID: 26598247
[TBL] [Abstract][Full Text] [Related]
16. A direct dynamics trajectory study of F- + CH(3)OOH reactive collisions reveals a major non-IRC reaction path.
López JG; Vayner G; Lourderaj U; Addepalli SV; Kato S; deJong WA; Windus TL; Hase WL
J Am Chem Soc; 2007 Aug; 129(32):9976-85. PubMed ID: 17658801
[TBL] [Abstract][Full Text] [Related]
17. Direct dynamics simulation of dissociation of the [CH3--I--OH]- ion-molecule complex.
Xie J; McClellan M; Sun R; Kohale SC; Govind N; Hase WL
J Phys Chem A; 2015 Feb; 119(5):817-25. PubMed ID: 25574690
[TBL] [Abstract][Full Text] [Related]
18. Potential Energy Curves for Formation of the CH
Lakshmanan S; Spada RFK; Machado FBC; Hase WL
J Phys Chem A; 2019 Oct; 123(41):8968-8975. PubMed ID: 31536345
[TBL] [Abstract][Full Text] [Related]
19. Direct Dynamics Simulations of the
Lakshmanan S; Pratihar S; Hase WL
J Phys Chem A; 2021 Jan; 125(2):621-627. PubMed ID: 33405928
[TBL] [Abstract][Full Text] [Related]
20. Mechanism and rate constants of the CH
Savchenkova AS; Semenikhin AS; Chechet IV; Matveev SG; Konnov AA; Mebel AM
J Comput Chem; 2019 Jan; 40(2):387-399. PubMed ID: 30299558
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]