Interplay of intra- and intermolecular H-bonds for the addition of a water molecule to the neutral and n-protonated forms of noradrenaline

International Journal of Quantum Chemistry

Volumn 90, Issue 2, 2002, Pages 641-656

  Goodman, Lionel ^a   Pophristic, Vojislava ^a   Wang, Windy ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

Alpha (aminomethyl) 3,4 dihydroxybenzyl alcohol; BSSE; Continuum solvent effect; Dopamine; HF 6 31G* calculations; MP2 correlation corrections; Norepinephrine; Thermal corrections

Indexed keywords

ADDITION REACTIONS; CHEMICAL RELAXATION; CONFORMATIONS; ENERGY GAP; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; ORGANIC COMPOUNDS; POTENTIAL ENERGY; STRAIN; WATER;

CONFORMATIONAL FLEXIBILITY; HETEROATOMS; INTERMOLECULAR HYDROGEN BONDS; INTRAMOLECULAR HYDROGEN BONDS; NORADRENALINE; STRAIN RELAXATION;

HYDROGEN BONDS;

EID: 84962437181     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.964     Document Type: Article

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