An ab initio/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios for unimolecular decomposition of propen-2-ol and related H+CH2COHCH2 reaction

The Journal of Chemical Physics ◽

10.1063/1.3033939 ◽

2008 ◽

Vol 129 (23) ◽

pp. 234301 ◽

Author(s):

Chong-Wen Zhou ◽

Ze-Rong Li ◽

Cun-Xi Liu ◽

Xiang-Yuan Li

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Branching Ratios ◽

Unimolecular Decomposition ◽

Product Branching

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The NCO + NO Reaction Revisited: Ab Initio MO/VRRKM Calculations for Total Rate Constant and Product Branching Ratios

The Journal of Physical Chemistry A ◽

10.1021/jp002637a ◽

2000 ◽

Vol 104 (46) ◽

pp. 10807-10811 ◽

Author(s):

Rongshun Zhu ◽

M. C. Lin

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Branching Ratios ◽

Ab Initio Mo ◽

Product Branching

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Ab Initio Study on the Oxidation of NCN by O (3P): Prediction of the Total Rate Constant and Product Branching Ratios†

The Journal of Physical Chemistry A ◽

10.1021/jp068991b ◽

2007 ◽

Vol 111 (29) ◽

pp. 6766-6771 ◽

Author(s):

R. S. Zhu ◽

M. C. Lin

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Branching Ratios ◽

Ab Initio Study ◽

Product Branching

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Computational Study of the HCCO + NO Reaction: ab Initio MO/vRRKM Calculations of the Total Rate Constant and Product Branching Ratios

The Journal of Physical Chemistry A ◽

10.1021/jp022024t ◽

2003 ◽

Vol 107 (7) ◽

pp. 1066-1076 ◽

Author(s):

I. V. Tokmakov ◽

L. V. Moskaleva ◽

D. V. Paschenko ◽

M. C. Lin

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Computational Study ◽

Branching Ratios ◽

Ab Initio Mo ◽

Product Branching

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Ab initio study of the HO2+NO reaction: Prediction of the total rate constant and product branching ratios for the forward and reverse processes

The Journal of Chemical Physics ◽

10.1063/1.1619373 ◽

2003 ◽

Vol 119 (20) ◽

pp. 10667-10677 ◽

Author(s):

R. S. Zhu ◽

M. C. Lin

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Branching Ratios ◽

Ab Initio Study ◽

Reaction Prediction ◽

Product Branching

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Thermal decomposition of ethanol. I. Ab Initio molecular orbital/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios

The Journal of Chemical Physics ◽

10.1063/1.1490601 ◽

2002 ◽

Vol 117 (7) ◽

pp. 3224-3231 ◽

Author(s):

J. Park ◽

R. S. Zhu ◽

M. C. Lin

Keyword(s):

Thermal Decomposition ◽

Ab Initio ◽

Molecular Orbital ◽

Rate Constant ◽

Branching Ratios ◽

Product Branching

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Ab Initio Study of the ClO + NH2Reaction: Prediction of the Total Rate Constant and Product Branching Ratios†

The Journal of Physical Chemistry A ◽

10.1021/jp067178d ◽

2007 ◽

Vol 111 (19) ◽

pp. 3977-3983 ◽

Author(s):

R. S. Zhu ◽

M. C. Lin

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Branching Ratios ◽

Ab Initio Study ◽

Product Branching

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Theoretical Studies of Methyleneamino (CH2N) Radical Reactions. 1. Rate Constants and Product Branching Ratios for the CH2N + N2O Process by ab Initio Molecular Orbital/Statistical Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp983175s ◽

1999 ◽

Vol 103 (5) ◽

pp. 601-606 ◽

Author(s):

D. Chakraborty ◽

M. C. Lin

Keyword(s):

Statistical Theory ◽

Ab Initio ◽

Molecular Orbital ◽

Rate Constants ◽

Branching Ratios ◽

Radical Reactions ◽

Theoretical Studies ◽

Product Branching

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Determination of the rate constant and of product branching ratios in the reaction of CH3O2 with OCl between 233 and 300 K

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19940981013 ◽

1994 ◽

Vol 98 (10) ◽

pp. 1298-1302 ◽

Author(s):

A. S. Kukui ◽

T. P. W. Jungkamp ◽

R. N. Schindler

Keyword(s):

Rate Constant ◽

Branching Ratios ◽

Product Branching

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Ab Initio Energies and Product Branching Ratios for the O + C3H6Reaction

The Journal of Physical Chemistry A ◽

10.1021/jp0755037 ◽

2007 ◽

Vol 111 (50) ◽

pp. 12977-12984 ◽

Author(s):

Gary D. DeBoer ◽

James A. Dodd

Keyword(s):

Ab Initio ◽

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 ◽

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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