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Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. The importance of spin projection
Author(s) -
Sosa Carlos,
Bernhard Schlegel H.
Publication year - 1986
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.560300116
Subject(s) - library science , ab initio , chemistry , state (computer science) , art history , computational chemistry , history , computer science , organic chemistry , algorithm