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

Gap-Sue Kim; Thanh Lam Nguyen; Alexander M. Mebel; Sheng H. Lin; Minh Tho Nguyen

doi:10.1021/jp0261410

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

The Journal of Physical Chemistry A ◽

10.1021/jp0261410 ◽

2003 ◽

Vol 107 (11) ◽

pp. 1788-1796 ◽

Cited By ~ 21

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

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

The Journal of Physical Chemistry A ◽

10.1021/jp0690300 ◽

2007 ◽

Vol 111 (29) ◽

pp. 6704-6712 ◽

Cited By ~ 18

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

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

The Journal of Physical Chemistry A ◽

10.1021/jp054309m ◽

2006 ◽

Vol 110 (7) ◽

pp. 2421-2433 ◽

Cited By ~ 19

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

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

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.06.027 ◽

2009 ◽

Vol 910 (1-3) ◽

pp. 126-135 ◽

Cited By ~ 2

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

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

International Journal of Quantum Chemistry ◽

10.1002/qua.22444 ◽

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

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

Chemical Physics Letters ◽

10.1016/j.cplett.2005.02.081 ◽

2005 ◽

Vol 406 (1-3) ◽

pp. 60-74 ◽

Cited By ~ 6

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

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Potential Energy Surface and Product Branching Ratios for the Reaction of C(3Pj) with the Allyl Radical: An ab Initio/RRKM Study

The Journal of Physical Chemistry A ◽

10.1021/jp034074j ◽

2003 ◽

Vol 107 (16) ◽

pp. 2990-2999 ◽

Cited By ~ 5

Author(s):

T. L. Nguyen ◽

A. M. Mebel ◽

R. I. Kaiser

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Branching Ratios ◽

Allyl Radical ◽

Product Branching

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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

The Journal of Chemical Physics ◽

10.1063/1.2929821 ◽

2008 ◽

Vol 128 (21) ◽

pp. 214301 ◽

Cited By ~ 25

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

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

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00219-6 ◽

2001 ◽

Vol 337 (4-6) ◽

pp. 349-354 ◽

Cited By ~ 21

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

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

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/22/01/87-96 ◽

2009 ◽

Vol 22 (1) ◽

pp. 87-96 ◽

Cited By ~ 2

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

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

Molecular Physics ◽

10.1080/002689700162540 ◽

2000 ◽

Vol 98 (5) ◽

pp. 261-273 ◽

Cited By ~ 10

Author(s):

Oleg L. Polyansky, Rita Prosmiti, Wim Kl

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface

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