Hydrogen-bonded complexes of nicotine with simple alcohols

International Journal of Quantum Chemistry

Volumn 112, Issue 16, 2012, Pages 2787-2793

  Senthilkumar, Lakshmipathi ^a   Ghanty, Tapan K ^b   Kolandaivel, Ponmalai ^a   Ghosh, Swapan K ^b  

^a BHARATHIAR UNIVERSITY   (India)

^b BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

ab initio calculation; alcohol; hydrogen bond; natural bond orbital; nicotine

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; BADER'S ATOMS; BASIS SET SUPERPOSITION ERRORS; BLUE SHIFTING; BOND CRITICAL POINTS; CARBON ATOMS; HYDROGEN BOND ACCEPTORS; HYDROGEN BOND DONORS; HYDROGEN BOND ENERGY; HYDROGEN-BONDED COMPLEXES; LAPLACIANS; LINEAR CORRELATION; NATURAL BOND ORBITAL; NATURAL BOND ORBITAL ANALYSIS; NEUTRAL COMPLEXES; NICOTINE; NITROGEN ATOM; PROTONATED; PYRROLIDINES; REDSHIFTING; RELATIVE STABILITIES; SIMPLE ALCOHOLS;

ALCOHOLS; CALCULATIONS; CHARGE TRANSFER; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ETHANOL; METHANOL; PROTONATION; PYRIDINE; TOPOLOGY;

HYDROGEN BONDS;

EID: 84863725099     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23304     Document Type: Article

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