Open AccessTheoretical Studies of Elementary Hydrocarbon Species and Their Reactions
Author(s) -
Wesley D. Allen,
Henry F. Schaefer
Publication year - 2018
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1432179
Subject(s) - wave function , coupled cluster , radical , thermochemistry , electronic structure , computational chemistry , chemistry , quantum chemistry , transition state , interoperability , electronic correlation , computer science , physics , statistical physics , quantum mechanics , molecule , supramolecular chemistry , organic chemistry , catalysis , operating system
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