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Basis set effects on B3LYP geometries and energies: case study of interstellar reaction HNCH 2 + • CN → H 2 NC( • )HCN
Author(s) -
Basiuk Vladimir A.,
Crevenna Escobar Alvaro H.,
Montiel Molina Héctor M.
Publication year - 2001
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.10053
Subject(s) - physics , chemistry
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