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Results: 1 to 20 of 490

1.
2.

Quasi-classical trajectory calculations analyzing the dynamics of the C-H stretch mode excitation in the H+CHD3 reaction.

Espinosa-García J.

J Phys Chem A. 2007 Jul 5;111(26):5792-9. Epub 2007 Jun 14.

PMID:
17567117
[PubMed]
3.

Role of the C-H stretch mode excitation in the dynamics of the Cl + CHD3 reaction: a quasi-classical trajectory calculation.

Espinosa-García J.

J Phys Chem A. 2007 Oct 4;111(39):9654-61. Epub 2007 Sep 8.

PMID:
17824676
[PubMed]
4.

Quasi-classical trajectory calculations analyzing the role of bending mode excitations of methane in the Cl + CH4 reaction.

Sansón J, Corchado JC, Rangel C, Espinosa-García J.

J Phys Chem A. 2006 Aug 10;110(31):9568-74.

PMID:
16884189
[PubMed]
6.

Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y --> products: the H + CH3Cl hydrogen abstraction reaction channel.

Rangel C, Corchado JC, Espinosa-García J.

Phys Chem Chem Phys. 2008 Dec 7;10(45):6776-86. doi: 10.1039/b809999e. Epub 2008 Sep 30.

PMID:
19015781
[PubMed]
7.

New analytical potential energy surface for the F(2P)+CH4 hydrogen abstraction reaction: kinetics and dynamics.

Espinosa-García J, Bravo JL, Rangel C.

J Phys Chem A. 2007 Apr 12;111(14):2761-71. Epub 2007 Mar 9.

PMID:
17388340
[PubMed]
8.

Quasi-classical trajectory study of the F + CD4 reaction dynamics.

Espinosa-García J.

J Phys Chem A. 2007 May 10;111(18):3497-501. Epub 2007 Apr 14.

PMID:
17432840
[PubMed]
9.

State-to-state dynamics analysis of the F + CHD3 reaction: a quasiclassical trajectory study.

Espinosa-García J, Bravo JL.

J Phys Chem A. 2008 Jul 10;112(27):6059-65. doi: 10.1021/jp711218p. Epub 2008 Jun 13.

PMID:
18549197
[PubMed]
10.

Potential energy surface, kinetics, and dynamics study of the Cl+CH4-->HCl+CH3 reaction.

Rangel C, Navarrete M, Corchado JC, Espinosa-García J.

J Chem Phys. 2006 Mar 28;124(12):124306.

PMID:
16599673
[PubMed]
11.
12.

Quasiclassical trajectory calculations analyzing the role of vibrational and translational energy in the F + CH2D2 reaction.

Espinosa-García J.

J Chem Phys. 2009 Feb 7;130(5):054305. doi: 10.1063/1.3069632.

PMID:
19206971
[PubMed]
13.

Quasi-classical trajectory calculations of the hydrogen abstraction reaction H + NH3.

Espinosa-García J, Corchado JC.

J Phys Chem A. 2010 Jun 3;114(21):6194-200. doi: 10.1021/jp101607n.

PMID:
20459146
[PubMed]
14.

Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction.

Monge-Palacios M, Corchado JC, Espinosa-Garcia J.

Phys Chem Chem Phys. 2012 May 28;14(20):7497-508. doi: 10.1039/c2cp40786h. Epub 2012 Apr 23.

PMID:
22526719
[PubMed]
15.

The hydrogen abstraction reaction H + CH4. II. Theoretical investigation of the kinetics and dynamics.

Espinosa-García J, Nyman G, Corchado JC.

J Chem Phys. 2009 May 14;130(18):184315. doi: 10.1063/1.3132594.

PMID:
19449929
[PubMed]
16.

Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O((3)P) + CH4(ν3 = 1) → OH + CH3 reaction on an analytical potential energy surface. Comparison with experiment.

Monge-Palacios M, González-Lavado E, Espinosa-Garcia J.

J Chem Phys. 2014 Sep 7;141(9):094307. doi: 10.1063/1.4893988.

PMID:
25194372
[PubMed - in process]
17.

Effects of C-H stretch excitation on the H+CH4 reaction.

Camden JP, Bechtel HA, Brown DJ, Zare RN.

J Chem Phys. 2005 Oct 1;123(13):134301.

PMID:
16223282
[PubMed]
19.

On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol.

Rudić S, Murray C, Harvey JN, Orr-Ewing AJ.

J Chem Phys. 2004 Jan 1;120(1):186-98.

PMID:
15267276
[PubMed]
20.

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