About: Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe

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About: Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe Goto Sponge NotDistinct Permalink

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rdf:type	Item
description	article (en) wetenschappelijk artikel (nl) наукова стаття, опублікована в травні 1986 (uk) article scientifique publié en 1986 (fr) im Mai 1986 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57402629-EDB102FE-7DC2-4F7E-A59D-5BCF5C028B18
publication date	1986-05-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57402629-AEE900CF-BEC1-4C70-A4D8-149A14F4DFB2
language of work or name	English
author name string	wds:Q57402629-69B636FF-686C-44B4-A775-4A693D86FCD0
author name string	Bruce C. Garrett
rdfs:label	Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (en) Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (nl)
skos:prefLabel	Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (en) Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (nl)
name	Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (en) Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (nl)
author	wds:Q57402629-68F5DA18-1966-4005-9D9A-F2A59A9A32ED wds:Q57402629-AD858FB3-205A-4D3D-99AD-85F594CFBD69
author	Donald Truhlar George C. Schatz
title	wds:Q57402629-D1B70462-1207-4C0D-AF1F-B804CC40DFD3
title	Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effe (en)
page(s)	wds:Q57402629-85669D2B-52D6-4760-923F-EF65E7F2C85B
page(s)	2876-2881
instance of	wds:Q57402629-D5E39B8D-6F8A-42B2-8D57-B7F60AC156A2
instance of	scholarly article
published in	wds:Q57402629-DB8DEC5F-1F1A-4BF9-9AF8-3EF54CC75ECB
published in	Journal of the American Chemical Society
issue	wds:Q57402629-D3B10C07-816B-477F-9BE3-40C75192DF1F
volume	wds:Q57402629-B4ABD10A-A0ED-4926-A91F-67258A0A8D4E
issue	11
volume	108
DOI	wds:Q57402629-4DB579F8-3680-41C7-88CE-DD445FA1DD18
DOI	http://dx.doi.org/10.1021/JA00271A015
DOI	10.1021/JA00271A015
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402629
is cites work of	Theories of reactive scattering ABCRATE: A program for the calculation of atom-diatom reaction rates Variational transition state theory: theoretical framework and recent developments. Deuterium and carbon‐13 kinetic isotope effects for the reaction of OH with CH4 Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system Reaction rates of H(H2), D(H2), and H(D2) van der Waals molecules and the threshold behavior of the bimolecular gas‐phase rate coefficient L2 amplitude density method for multichannel inelastic and rearrangement collisions Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H Propagation method for the solution of the arrangement‐channel coupling equations for reactive scattering in three dimensions Benchmark calculations of thermal reaction rates. I. Quantal scattering theory Reaction‐path analysis of the effect of monomer excitation on the tunneling splitting of the hydrogen fluoride dimer Test of the accuracy of small‐curvature and minimum‐energy reference paths for parametrizing the search for least‐action tunneling paths: (H,D)+H’Br→(H,D)Br+H’
is cites work of	wds:Q49814547-2CB84B7E-B6F7-4307-B308-B4898CD64411 wds:Q57402550-1A088EBB-BAF5-4534-9F77-725B1CC9FC86 wds:Q57402603-032E5BD8-9E19-4A2F-9875-639F7D1D7D21 wds:Q36618213-97603D7A-4F72-4BF3-8824-5E4E321EFC67 wds:Q57402449-C2C16952-9E74-4AA1-B2FB-F1018EA40111 wds:Q57402591-2D864E10-6649-4A45-A13F-6DC9583BD910 wds:Q57402492-052EB4CA-B3A9-4B63-8F7F-E3767D794514 wds:Q57402551-4E611602-F5BD-4127-BBD1-259F836863D3 wds:Q57402554-75659F07-AF5B-4164-8512-D1493984371E wds:Q57402571-D49BB4B5-8D88-4C59-9C73-5F15195A3F31 wds:Q57402274-8E3CDCCB-8C4B-48E2-AFC1-2F261A9F1625 wds:Q57402377-DBCD45D8-703B-4CB6-AA10-6CEC8C7BF95E

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