These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
450 related articles for article (PubMed ID: 21598935)
1. 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]
2. 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]
3. 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]
4. 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]
5. 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]
6. Conical intersections and semiclassical trajectories: comparison to accurate quantum dynamics and analyses of the trajectories. Jasper AW; Truhlar DG J Chem Phys; 2005 Jan; 122(4):44101. PubMed ID: 15740229 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Quantum mechanical and quasiclassical investigations of the time domain nonadiabatic dynamics of NO2 close to the bottom of the X 2A1 - A 2B2 conical intersection. Sanrey M; Joyeux M J Chem Phys; 2006 Jul; 125(1):014304. PubMed ID: 16863295 [TBL] [Abstract][Full Text] [Related]
9. 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]
12. Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods. Lan Z; Fabiano E; Thiel W J Phys Chem B; 2009 Mar; 113(11):3548-55. PubMed ID: 19239209 [TBL] [Abstract][Full Text] [Related]
13. Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. Hudock HR; Levine BG; Thompson AL; Satzger H; Townsend D; Gador N; Ullrich S; Stolow A; Martínez TJ J Phys Chem A; 2007 Aug; 111(34):8500-8. PubMed ID: 17685594 [TBL] [Abstract][Full Text] [Related]
14. Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine. Tomić K; Tatchen J; Marian CM J Phys Chem A; 2005 Sep; 109(37):8410-8. PubMed ID: 16834234 [TBL] [Abstract][Full Text] [Related]
15. QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution. Lan Z; Lu Y; Fabiano E; Thiel W Chemphyschem; 2011 Jul; 12(10):1989-98. PubMed ID: 21674744 [TBL] [Abstract][Full Text] [Related]