Potential Energy Surface and Product Branching Ratios for the Reaction of Dicarbon, C2(X1Σg+), with Methylacetylene, CH3CCH(X1A1):  An Ab Initio/RRKM Study

2006 ◽  
Vol 110 (7) ◽  
pp. 2421-2433 ◽  
Author(s):  
A. M. Mebel ◽  
V. V. Kislov ◽  
R. I. Kaiser
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Branching Ratios ◽  
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 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

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

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

Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+HD reaction on BW2 potential energy surface

2001 ◽  
Vol 337 (4-6) ◽  
pp. 349-354 ◽  
Author(s):  
Mao-Du Chen ◽  
Bi-Yu Tang ◽  
Ke-Li Han ◽  
Nan-Quan Lou
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Branching Ratios ◽  
Classical Trajectory ◽  
Product Branching

Ab initioStudy of the Potential Energy Surface and Product Branching Ratios for Reaction of O(1D) with C2H5Cl

2009 ◽  
Vol 22 (1) ◽  
pp. 87-96 ◽  
Author(s):  
Chong-fu Song ◽  
Zhi-mei Tian ◽  
Quan-xin Lib ◽  
Tian-jing He
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Branching Ratios ◽  
Product Branching

An accurate, global, ab initio potential energy surface for the H + 3 molecule

2000 ◽  
Vol 98 (5) ◽  
pp. 261-273 ◽  
Author(s):  
Oleg L. Polyansky, Rita Prosmiti, Wim Kl
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface
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