Post Hartree-Fock and DFT studies on pyrrole⋯nitrogen and pyrrole⋯carbon monoxide molecules

International Journal of Molecular Sciences

Volumn 3, Issue 7, 2002, Pages 777-789

  Kanakaraju, R ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Ab initio; Chemical hardness; Chemical potential; Density functional theory; Maximum hardness principle; Pyrrole carbon monoxide; Pyrrole nitrogen

Indexed keywords

CARBON MONOXIDE; NITROGEN; PYRROLE;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; DIPOLE; GEOMETRY; HARDNESS; HYDROGEN BOND; ISOMER; MATHEMATICAL ANALYSIS; MOLECULAR STABILITY; STRUCTURE ANALYSIS;

EID: 3242685823     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i3070777     Document Type: Article

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