Electrostatic potential at nuclei as a reactivity index in hydrogen bond formation. Complexes of ammonia with C-H, N-H and O-H proton donor molecules

Journal of Molecular Structure: THEOCHEM

Volumn 637, Issue 1-3, 2003, Pages 73-80

  Dimitrova, Valia ^a   Ilieva, Sonia ^a   Galabov, Boris ^a  

^a UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

Descriptor; Electrostatic potential; Hydrogen bonding; Reactivity index

Indexed keywords

ACETIC ACID; ACETONE; ALCOHOL; ALKYNE; AMIDE; AMMONIA; ANILINE; CARBON; CYTOSINE; DIMETHYLAMINE; ETHYLENE; HYDROGEN; HYDROGEN CYANIDE; METHANOL; METHYLAMINE; MONOMER; N METHYLFORMAMIDE; NITROGEN; OXYGEN; PHENOL; PROPANOL; PROTON;

ARTICLE; ATOM; CALCULATION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENERGY; GEOMETRY; HYDROGEN BOND; LINEAR SYSTEM; PROTON TRANSPORT; THEORY; VIBRATION;

EID: 0141644093     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00402-0     Document Type: Article

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