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Molecular orbital studies of carbyne reactions: addition and insertion reaction paths for the reaction

โœ Scribed by Gosavi, Ratnakar K.; Safarik, Imre; Strausz, Otto P.


Book ID
120067703
Publisher
NRC Research Press
Year
1985
Tongue
French
Weight
284 KB
Volume
63
Category
Article
ISSN
0008-4042

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4b~~oorb~~calcuLuonsonrhe~dlUonof~ound(?-~)stnreCHto~oundsrateC=H~ hasebeen cz.?edaufwzLhm the unrestricted Hartree-Fock framework (m&m al STO4G basis set) 4nalysls of the potential energy hypersurfxes shows that the as) mmetnc reaction path has no actwatlon energy while the symmetnc, least motion a