Characterization of intermolecular interactions in crystalline aspirin: A computational NQR study

International Journal of Quantum Chemistry

Volumn 112, Issue 5, 2012, Pages 1392-1400

  Esrafili, Mehdi D ^a   Alizadeh, Vahideh ^b  

^a UNIVERSITY OF MARAGHEH   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Aspirin; Atoms in molecules analysis; DFT; Jensen's polarization consistent basis sets; NQR

Indexed keywords

COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULES; PARAMETER ESTIMATION; POLARIZATION;

ASPIRIN; ATOMS-IN-MOLECULES ANALYSIS; COMPUTATIONAL STUDIES; HYDROGEN BONDING INTERACTIONS; HYDROGEN-BONDING EFFECTS; INTERACTING MOLECULES; INTERMOLECULAR INTERACTIONS; JENSEN'S POLARIZATION-CONSISTENT BASIS SETS;

NUCLEAR QUADRUPOLE RESONANCE;

EID: 84861626463     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23122     Document Type: Article

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