Thermal rate constants of the O2+N→NO+O reaction based on the A2′ and A4′ potential-energy surfaces

Deepak Bose; Graham V. Candler

doi:10.1063/1.475132

Thermal rate constants of the O2+N→NO+O reaction based on the A2′ and A4′ potential-energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.475132 ◽

1997 ◽

Vol 107 (16) ◽

pp. 6136-6145 ◽

Cited By ~ 101

Author(s):

Deepak Bose ◽

Graham V. Candler

Keyword(s):

Potential Energy ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Thermal Rate Constants ◽

Energy Surfaces

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Thermal rate constants of the N2+O→NO+N reaction using ab initio 3A″ and 3A′ potential energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.471106 ◽

1996 ◽

Vol 104 (8) ◽

pp. 2825-2833 ◽

Cited By ~ 141

Author(s):

Deepak Bose ◽

Graham V. Candler

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Thermal Rate Constants ◽

Energy Surfaces

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Rate Constants and Their Temperature Dependences: A Kinetic Description Using Simple Model Potential-Energy Surfaces

Dynamics of Ion–Molecule Complexes - Advances in Classical Trajectory Methods ◽

10.1016/b978-1-55938-553-4.50011-9 ◽

1994 ◽

pp. 255-293

Author(s):

Michael Henchman

Keyword(s):

Simple Model ◽

Potential Energy ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Model Potential ◽

Kinetic Description ◽

Temperature Dependences ◽

Energy Surfaces

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Ab Initio/Transition-State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b06628 ◽

2019 ◽

Vol 123 (42) ◽

pp. 9019-9052 ◽

Cited By ~ 8

Author(s):

Yanjin Sun ◽

Chong-Wen Zhou ◽

Kieran P. Somers ◽

Henry J. Curran

Keyword(s):

High Pressure ◽

Potential Energy ◽

Transition State ◽

Ab Initio ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Transition State Theory ◽

State Theory ◽

Energy Surfaces

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Quantum real wave-packet dynamics of the N(S4)+NO(X̃Π2)→N2(X̃Σg+1)+O(P3) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections, and product distributions

The Journal of Chemical Physics ◽

10.1063/1.2186643 ◽

2006 ◽

Vol 124 (17) ◽

pp. 174303 ◽

Cited By ~ 22

Author(s):

Pablo Gamallo ◽

R. Sayós ◽

Miguel González ◽

Carlo Petrongolo ◽

Paolo Defazio

Keyword(s):

Potential Energy ◽

Wave Packet ◽

Cross Sections ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Excited Triplet ◽

Wave Packet Dynamics ◽

Product Distributions ◽

Energy Surfaces

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Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents

The Journal of Chemical Physics ◽

10.1063/1.3660222 ◽

2011 ◽

Vol 135 (19) ◽

pp. 194302 ◽

Cited By ~ 11

Author(s):

Sayak Bhattacharya ◽

Aditya N. Panda ◽

Hans-Dieter Meyer

Keyword(s):

Potential Energy ◽

Cross Sections ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Vibrationally Excited ◽

Energy Surfaces

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Benchmark rate constants by the hyperquantization algorithm. The F+H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity

Chemical Physics ◽

10.1016/j.chemphys.2004.03.027 ◽

2005 ◽

Vol 308 (3) ◽

pp. 237-253 ◽

Cited By ~ 55

Author(s):

Vincenzo Aquilanti ◽

Simonetta Cavalli ◽

Dario De Fazio ◽

Alessandro Volpi ◽

Antonio Aguilar ◽

...

Keyword(s):

Low Temperature ◽

Potential Energy ◽

Transition State ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Entrance Channel ◽

Energy Surfaces

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The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO–NOH system: Energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions

The Journal of Chemical Physics ◽

10.1063/1.4704895 ◽

2012 ◽

Vol 136 (16) ◽

pp. 164303 ◽

Cited By ~ 25

Author(s):

Uğur Bozkaya ◽

Justin M. Turney ◽

Yukio Yamaguchi ◽

Henry F. Schaefer

Keyword(s):

Potential Energy ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Energy Surfaces

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Mechanism and rate constants for ammonia photochemical oxidation with O2 on the singlet and triplet potential energy surfaces

Structural Chemistry ◽

10.1007/s11224-013-0375-1 ◽

2013 ◽

Vol 25 (4) ◽

pp. 1057-1065 ◽

Cited By ~ 3

Author(s):

Somaie Asgharzade ◽

Morteza Vahedpour

Keyword(s):

Potential Energy ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Photochemical Oxidation ◽

Energy Surfaces

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Gas phase kinetic and quantum chemical studies of the reactions of silylene with the methylsilanes. Absolute rate constants, temperature dependences, RRKM modelling and potential energy surfaces

Physical Chemistry Chemical Physics ◽

10.1039/b613638a ◽

2007 ◽

Vol 9 (17) ◽

pp. 2121 ◽

Cited By ~ 12

Author(s):

Rosa Becerra ◽

Ian W. Carpenter ◽

Mark S. Gordon ◽

Luke Roskop ◽

Robin Walsh

Keyword(s):

Potential Energy ◽

Gas Phase ◽

Rate Constants ◽

Quantum Chemical ◽

Potential Energy Surfaces ◽

Absolute Rate ◽

Temperature Dependences ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Energy Surfaces

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Scaling of classical rate constants on scaled potential-energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.1374938 ◽

2001 ◽

Vol 114 (24) ◽

pp. 10583-10590 ◽

Cited By ~ 3

Author(s):

Myung Soo Kim ◽

Sang Tae Park ◽

Bong June Sung ◽

Jeong Hee Moon

Keyword(s):

Potential Energy ◽

Rate Constants ◽

Potential Energy Surfaces ◽

Energy Surfaces

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