Computational studies of bond dissociation energies, ionization potentials, and heat of formation for NH and NH+. Are hybrid density functional theory methods as accurate as quadratic complete basis set and Gaussian-2 ab initio methods?

Theoretical Chemistry Accounts

Volumn 99, Issue 3, 1998, Pages 171-174

  Jursic, Branko S ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Bond dissociation energies; Hybrid density functional theory; Ionization potentials

Indexed keywords

EID: 0032391710     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050320     Document Type: Article

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