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Ab initio studies of negative ion‐molecule(s) clusters present in the atmosphere. III. OH − (CO 2 ) n for n = 1, 2
Author(s) -
Sapse AnneMarie,
Osorio Louis,
Snyder Grace
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560260208
Subject(s) - ion , ab initio , chemistry , atomic physics , ab initio quantum chemistry methods , atmosphere (unit) , molecule , hartree–fock method , binding energy , carbon dioxide , computational chemistry , physics , thermodynamics , organic chemistry
Abstract Clusters formed by the OH − ion and carbon dioxide are investigated using ab initio Hartree–Fock calculations, with 6–31 G and 6–31 G * basis sets. Geometries and binding energies are determined.