Least squares fits of one‐dimensional tunneling expressions to the results of three‐dimensional quantum scattering calculations for H+H2
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.449239
Reference14 articles.
1. Quantum mechanical reactive scattering for three‐dimensional atom plus diatom systems. II. Accurate cross sections for H+H2
2. Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H2 and 2H + 2H2
3. Potential Energy Surface for H3
4. Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)
5. Chemical Reactions at Very Low Temperatures
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1. A Theoretical Study on the Kinetics of Hydrogen Abstraction Reactions of Methyl or Hydroxyl Radicals with Hydrogen Sulfide;The Journal of Physical Chemistry A;2003-04-11
2. Properties of activation barriers from thermal rate data on forward and reverse reactions: hydroxyl + hydrogen, amidogen + hydrogen, methyl + hydrogen and methyl + hydrogen chloride;The Journal of Physical Chemistry;1990-02
3. Effective bending frequencies, energies, and tunneling parameters of transition states [of hydrogen isotopic molecules] from thermal rate data and semiempirical internuclear distances: DHH, HDD, OHH, and ODD;The Journal of Physical Chemistry;1987-07
4. Parameters of activation barriers from curved Arrhenius plots: X + H2 .fwdarw. XH + H;The Journal of Physical Chemistry;1987-03
5. Tunnelling in bimolecular collisions;Chemical Reviews;1987-02-01
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