Diphosphene and diphosphinylidene

Journal of Physical Chemistry A

Volumn 113, Issue 47, 2009, Pages 13227-13236

  Lu, Tongxiang ^a   Simmonett, Andrew C ^a   Evangelista, Francesco A ^a   Yamaguchi, Yukio ^a   Schaefer, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CAS-SCF; CCSD; COUPLED-CLUSTER METHODS; DIPHOSPHENES; EQUILIBRIUM STRUCTURES; GLOBAL MINIMA; HARMONIC VIBRATIONAL FREQUENCIES; INFRARED INTENSITY; INTERNAL ROTATIONS; ISOMERIZATION REACTION; MULTI REFERENCE; SELF CONSISTENT FIELD THEORY; TORSIONAL ANGLE; TRANS-CIS ISOMERIZATION; TRANSITION STATE; ZERO-POINT VIBRATIONAL ENERGIES;

ELECTRON TRANSITIONS; ISOMERIZATION; MOLECULAR ORBITALS;

ISOMERS;

EID: 72949124253     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp904028a     Document Type: Article

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