Conformations of allyl amine: Theory vs experiment

Journal of Physical Chemistry A

Volumn 112, Issue 10, 2008, Pages 2120-2124

  Galabov, Boris ^a,d   Kim, Sunghwan ^a   Xie, Yaoming ^a   Schaefer III, Henry F ^a   Leininger, Matthew L ^b   Durig, James R ^c  

^a UNIVERSITY OF GEORGIA   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

^c UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^d UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO QUANTUM MECHANICAL METHODS; ALLYL AMINE (PVA); BASIS SETS; CCSD(T); CIS TRANS; CONFIGURATION INTERACTION (CIS); COUPLED-CLUSTER (CC); DOUBLE EXCITATIONS; HARTREE FOCK (HF); PERTURBATION METHODS; PERTURBATIVE TRIPLE EXCITATIONS; RELATIVE STABILITIES; SECOND ORDERS;

AMINATION; ORGANIC COMPOUNDS; PERTURBATION TECHNIQUES;

AMINES;

EID: 47049090291     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp710585q     Document Type: Article

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