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CASPT2 study on electronic states of the dichlorodifluoromethane cation

✍ Scribed by Tao Liu; Ming-Bao Huang; Hong-Wei Xi

Book ID
108088891
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
207 KB
Volume
332
Category
Article
ISSN
0301-0104

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## Abstract The HMgO and magnesium monohydroxide (HOMg) have been reinvestigated using the complete active space self‐consistent field (CASSCF) and multiconfiguration second‐order perturbation theory (CASPT2) methods with the contracted atomic natural orbital (ANO) basis sets. The geometries of all