Explaining reaction mechanisms using the dual descriptor: A complementary tool to the molecular electrostatic potential

Journal of Molecular Modeling

Volumn 19, Issue 7, 2013, Pages 2715-2722

  Martínez Araya, Jorge Ignacio ^a  

^a UNIVERSIDAD PEDRO DE VALDIVIA   (Chile)

Author keywords

Ammonia; Complexation agent; Conceptual DFT; Cyanide anion; Dual descriptor; Ligand; Local reactivity; Silver complexes; Silver exploitation; Thiosulfate anion; Water

Indexed keywords

AMMONIA; CARBON; CYANIDE; SILVER; THIOSULFATE; WATER;

CHEMICAL BOND; CONFERENCE PAPER; COVALENT BOND; ELECTRICAL POTENTIAL PARAMETERS; ELECTRICITY; GEOMETRY; MOLECULAR ELECTROSTATIC POTENTIAL; MOLECULAR INTERACTION; PRIORITY JOURNAL; REACTION ANALYSIS;

CATIONS; CYANIDES; GASES; MODELS, MOLECULAR; OSMOLAR CONCENTRATION; SILVER; STATIC ELECTRICITY; WATER;

EID: 84879780530     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1520-2     Document Type: Conference Paper

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