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.
242 related articles for article (PubMed ID: 28320906)
1. 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]
3. 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]
4. Post-Transition State Dynamics in Gas Phase Reactivity: Importance of Bifurcations and Rotational Activation. Martín-Sómer A; Yáñez M; Hase WL; Gaigeot MP; Spezia R J Chem Theory Comput; 2016 Mar; 12(3):974-82. PubMed ID: 26820235 [TBL] [Abstract][Full Text] [Related]
5. 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]
7. Gas-phase reactivity of [Ca(formamide)] Martin-Somer A; Spezia R; Yáñez M Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320901 [TBL] [Abstract][Full Text] [Related]
8. Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces. Spezia R; Martínez-Nuñez E; Vazquez S; Hase WL Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320909 [TBL] [Abstract][Full Text] [Related]
10. Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching. Glowacki DR; Rodgers WJ; Shannon R; Robertson SH; Harvey JN Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320908 [TBL] [Abstract][Full Text] [Related]
12. 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]
13. Statistical theory for the kinetics and dynamics of roaming reactions. Klippenstein SJ; Georgievskii Y; Harding LB J Phys Chem A; 2011 Dec; 115(50):14370-81. PubMed ID: 22029474 [TBL] [Abstract][Full Text] [Related]
14. A new (multi-reference configuration interaction) potential energy surface for H Wang X; Houston PL; Bowman JM Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320899 [TBL] [Abstract][Full Text] [Related]
15. Dynamical Bifurcation in Gas-Phase XH Proenza YG; de Souza MA; Longo RL Chemistry; 2016 Nov; 22(45):16220-16229. PubMed ID: 27651104 [TBL] [Abstract][Full Text] [Related]
16. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH Pratihar S; Ma X; Xie J; Scott R; Gao E; Ruscic B; Aquino AJA; Setser DW; Hase WL J Chem Phys; 2017 Oct; 147(14):144301. PubMed ID: 29031273 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. Identification of atomic-level mechanisms for gas-phase X- + CH3Y SN2 reactions by combined experiments and simulations. Xie J; Otto R; Mikosch J; Zhang J; Wester R; Hase WL Acc Chem Res; 2014 Oct; 47(10):2960-9. PubMed ID: 25120237 [TBL] [Abstract][Full Text] [Related]
19. 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]
20. On the gas phase fragmentation of protonated uracil: a statistical perspective. Rossich Molina E; Salpin JY; Spezia R; Martínez-Núñez E Phys Chem Chem Phys; 2016 Jun; 18(22):14980-90. PubMed ID: 27194127 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]