A survey of hydrogen bonding in imidazole and its 4-nitro derivative by ab initio and DFT calculations of chemical shielding

Chemical Physics Letters

Volumn 431, Issue 4-6, 2006, Pages 421-427

  Tafazzoli, M ^a   Amini, S K ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; X RAY CRYSTALLOGRAPHY;

CHEMICAL SHIELDING; GAUGE INVARIANT ATOMIC ORBITAL (GIAO); RESTRICTED HARTREE-FOCK (RHF);

HYDROGEN BONDS;

EID: 33750625709     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.09.089     Document Type: Article

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