469 related articles for article (PubMed ID: 16863308)
1. 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]
2. 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]
3. 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]
4. Non-RRKM dynamics in the CH3O2 + NO reaction system.
Stimac PJ; Barker JR
J Phys Chem A; 2008 Mar; 112(12):2553-62. PubMed ID: 18318515
[TBL] [Abstract][Full Text] [Related]
5. Theoretical and computational studies of non-RRKM unimolecular dynamics.
Lourderaj U; Hase WL
J Phys Chem A; 2009 Mar; 113(11):2236-53. PubMed ID: 19243125
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Comparisons of classical chemical dynamics simulations of the unimolecular decomposition of classical and quantum microcanonical ensembles.
Manikandan P; Hase WL
J Chem Phys; 2012 May; 136(18):184110. PubMed ID: 22583280
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly.
Paul AK; Hase WL
J Phys Chem A; 2016 Jan; 120(3):372-8. PubMed ID: 26738691
[TBL] [Abstract][Full Text] [Related]
10. Use of a single trajectory to study product energy partitioning in unimolecular dissociation: mass effects for halogenated alkanes.
Sun L; Park K; Song K; Setser DW; Hase WL
J Chem Phys; 2006 Feb; 124(6):64313. PubMed ID: 16483213
[TBL] [Abstract][Full Text] [Related]
11. On the statistical nature of collision and surface-induced dissociation: a theoretical investigation of aluminum clusters.
Larrégaray P; Peslherbe GH
J Phys Chem A; 2006 Feb; 110(4):1658-65. PubMed ID: 16435829
[TBL] [Abstract][Full Text] [Related]
12. Algorithms for sampling a quantum microcanonical ensemble of harmonic oscillators at potential minima and conical intersections.
Park K; Engelkemier J; Persico M; Manikandan P; Hase WL
J Phys Chem A; 2011 Jun; 115(24):6603-9. PubMed ID: 21598935
[TBL] [Abstract][Full Text] [Related]
13. Anharmonic RRKM calculation for the dissociation of (H(2)O)(2)H(+) and its deuterated species (D(2)O)(2)D(+).
Song D; Su H; Kong FA; Lin SH
J Phys Chem A; 2010 Sep; 114(37):10217-24. PubMed ID: 20722362
[TBL] [Abstract][Full Text] [Related]
14. Ab initio direct dynamics trajectory simulation of C2H5F-->C2H4 + HF product energy partitioning.
Sun L; Hase WL
J Chem Phys; 2004 Nov; 121(18):8831-45. PubMed ID: 15527346
[TBL] [Abstract][Full Text] [Related]
15. Anharmonic Rice-Ramsperger-Kassel-Marcus (RRKM) and product branching ratio calculations for the partially deuterated protonated water dimers: dissociation and isomerization.
Song D; Su H; Kong FA; Lin SH
J Chem Phys; 2013 Mar; 138(10):104301. PubMed ID: 23514483
[TBL] [Abstract][Full Text] [Related]
16. Dissociation of 1,1,1-trifluoroethane is an intrinsic RRKM process: classical trajectories and successful master equation modeling.
Matsugi A
J Phys Chem A; 2015 Mar; 119(10):1846-58. PubMed ID: 25664485
[TBL] [Abstract][Full Text] [Related]
17. Thermal decomposition of 1,5-dinitrobiuret (DNB): direct dynamics trajectory simulations and statistical modeling.
Liu J; Chambreau SD; Vaghjiani GL
J Phys Chem A; 2011 Jul; 115(28):8064-72. PubMed ID: 21648953
[TBL] [Abstract][Full Text] [Related]
18. Comparison of levels of electronic structure theory in direct dynamics simulations of C2H5F --> HF + C2H4 product energy partitioning.
Dong E; Setser DW; Hase WL; Song K
J Phys Chem A; 2006 Feb; 110(4):1484-90. PubMed ID: 16435808
[TBL] [Abstract][Full Text] [Related]
19. Microcanonical rates, gap times, and phase space dividing surfaces.
Ezra GS; Waalkens H; Wiggins S
J Chem Phys; 2009 Apr; 130(16):164118. PubMed ID: 19405572
[TBL] [Abstract][Full Text] [Related]
20. Deep tunneling in the unimolecular decay of CH
Fang Y; Liu F; Barber VP; Klippenstein SJ; McCoy AB; Lester MI
J Chem Phys; 2016 Dec; 145(23):234308. PubMed ID: 28010089
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
