About: Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics

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About: Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics Goto Sponge NotDistinct Permalink

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description	article (en) wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 1991 (uk) article scientifique publié en 1991 (fr) im Dezember 1991 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57402497-8D8494EF-F204-47F4-84D7-0F571E49A9C7
publication date	1991-12-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q57402497-5CDE3AF8-DC33-41F5-A2F8-8085D7F18298
author name string	Bruce C. Garrett
rdfs:label	Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (en) Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (nl)
skos:prefLabel	Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (en) Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (nl)
name	Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (en) Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (nl)
author	wds:Q57402497-A000E6E7-DD3A-4BD1-8955-BDDD35751B9B
author	Donald Truhlar
title	wds:Q57402497-3337F516-4F63-46FF-AF66-87FAFDBD11E5
title	Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (en)
page(s)	wds:Q57402497-8CE10709-D2CF-4464-9FB8-4D5AB10F9C6D
page(s)	10374-10379
instance of	wds:Q57402497-43AA3AFE-B719-424D-9B08-DC2925BA4899
instance of	scholarly article
published in	wds:Q57402497-A71B437A-1CED-44D1-8677-3046F7A57D93
published in	The journal of physical chemistry
issue	wds:Q57402497-54F070C4-8960-44E5-A0E9-966F6CF6F743
volume	wds:Q57402497-B2578D3B-45A7-4297-AC6C-90760F3668B5
issue	25
volume	95
DOI	wds:Q57402497-C68B9A1A-33BF-4A21-BE08-A5F614067092
DOI	http://dx.doi.org/10.1021/J100178A025
DOI	10.1021/J100178A025
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402497
is cites work of	Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants Kinetic isotope effects for the reactions of muonic helium and muonium with H2. Kinetics of the reaction of the heaviest hydrogen atom with H2, the 4Heμ + H2 → 4HeμH + H reaction: Experiments, accurate quantal calculations, and variational transition state theory, including kinetic isotope effects for a factor of 36.1 in iso ABCRATE: A program for the calculation of atom-diatom reaction rates Quantized dynamical bottlenecks and transition state control of the reaction of D with H2: Effect of varying the total angular momentum Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2reaction Army ants tunneling for classical simulations A product branching ratio controlled by vibrational adiabaticity and variational effects: Kinetics of the H + trans-N2H2 reactions
is cites work of	wds:Q57402311-A3D0BA0E-4987-4B8B-B97C-5589CA3625C0 wds:Q77789474-A28D2658-6B8B-41EE-8137-BBED9C389B60 wds:Q34025514-D6823509-E3EB-47C8-BE34-372BCAB65BD4 wds:Q57401941-3C7D129E-07BC-433E-A412-8FA1D119B168 wds:Q57401993-F48704FE-72A0-499D-80F3-5CF62EE22DE2 wds:Q57402006-2DC4F1E5-1557-4F6B-BE97-20C5222221BC wds:Q57401923-35A3D1A9-1F64-4881-B5E7-5033C4A9F341 wds:Q57402377-4576F48F-275C-4B95-9971-D56184E474EB

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