Open AccessUse of Molecular Modeling to Determine the Interaction and Competition of Gases Within Coal for Carbon Dioxide Sequestration
Author(s) -
Jeffrey D. Evanseck,
Jeffry D. Madura,
Jonathan P. Mathews
Publication year - 2006
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/915749
Subject(s) - force field (fiction) , chemistry , ab initio , molecular dynamics , perturbation theory (quantum mechanics) , carbon dioxide , basis set , ab initio quantum chemistry methods , computational chemistry , molecule , physics , density functional theory , quantum mechanics , organic chemistry
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