Ab initio study of the potential energy surface and product branching ratios for the reaction of O(1 D) with CH3 CH2 Br

2010 ◽  
Vol 111 (3) ◽  
pp. 631-643
Author(s):  
Zhimei Tian ◽  
Chongfu Song ◽  
Quanxin Li
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
Ab Initio Study ◽  
Product Branching

Ab initio study of the potential energy surface and product branching ratios for the reaction of O(1D) with CH3CH2F

2009 ◽  
Vol 910 (1-3) ◽  
pp. 126-135 ◽  
Author(s):  
Chongfu Song ◽  
Zhimei Tian ◽  
Quanxin Li ◽  
Tianjing He
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
Ab Initio Study ◽  
Product Branching

The Reaction of Tricarbon with Acetylene:  An Ab Initio/RRKM Study of the Potential Energy Surface and Product Branching Ratios†

2007 ◽  
Vol 111 (29) ◽  
pp. 6704-6712 ◽  
Author(s):  
Alexander M. Mebel ◽  
Gap-Sue Kim ◽  
Vadim V. Kislov ◽  
Ralf I. Kaiser
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
Product Branching

Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching Ratios of the C(3P) + CH4Reaction

2003 ◽  
Vol 107 (11) ◽  
pp. 1788-1796 ◽  
Author(s):  
Gap-Sue Kim ◽  
Thanh Lam Nguyen ◽  
Alexander M. Mebel ◽  
Sheng H. Lin ◽  
Minh Tho Nguyen
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
Product Branching

Potential energy surface and product branching ratios for the reaction of F(2P) with the methyl radical: An ab initio/RRKM study

2005 ◽  
Vol 406 (1-3) ◽  
pp. 60-74 ◽  
Author(s):  
Ling Wang ◽  
Vadim V. Kislov ◽  
Alexander M. Mebel ◽  
Xueming Yang ◽  
Xiuyan Wang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
Methyl Radical ◽  
Product Branching

Ab initio study on the methanol-water cation radical potential energy surface

1993 ◽  
Vol 87 (1-2) ◽  
pp. 97-105 ◽  
Author(s):  
Rudolf Burcl ◽  
Pavel Hobza
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Cation Radical ◽  
Ab Initio Study

Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(Σ+2)+C4H2(Σg+1) and C4H(Σ+2)+C2H2(Σg+1) reactions

2008 ◽  
Vol 128 (21) ◽  
pp. 214301 ◽  
Author(s):  
Alexander Landera ◽  
Sergey P. Krishtal ◽  
Vadim V. Kislov ◽  
Alexander M. Mebel ◽  
Ralf I. Kaiser
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Rate Constants ◽  
Energy Surface ◽  
Theoretical Study ◽  
Branching Ratios ◽  
Product Branching

Electron Affinity of Hydrogen Peroxide and the [H2,O2]•-Potential Energy Surface. A Comparative DFT and ab Initio Study

1996 ◽  
Vol 100 (1) ◽  
pp. 100-110 ◽  
Author(s):  
Jan Hrušák ◽  
Heike Friedrichs ◽  
Helmut Schwarz ◽  
Holy Razafinjanahary ◽  
Henry Chermette
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electron Affinity ◽  
Energy Surface ◽  
Ab Initio Study

An ab initio study of the potential energy surface of methylamine dimer

2002 ◽  
Vol 586 (1-3) ◽  
pp. 225-234 ◽  
Author(s):  
Enrique M Cabaleiro-Lago ◽  
Jesús Rodrı́guez-Otero
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study
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