The platinum-olefin binding energy in series of (PH3)2Pt(olefin) complexes - A theoretical study

Journal of Molecular Modeling

Volumn 13, Issue 9, 2007, Pages 1009-1016

  Karhánek, David ^a   Kačer, Petr ^a   Kuzma, Marek ^b   Šplíchalová, Jana ^a   Červený, Libor ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b INSTITUTE OF MICROBIOLOGY   (Czech Republic)

Author keywords

Binding energy; DFT; Molecular modeling; Platinum complexes

Indexed keywords

1,3 BUTADIENE; ACETYLENE DERIVATIVE; ACRYLONITRILE; ALCOHOL DERIVATIVE; ALKENE DERIVATIVE; CARBONYL DERIVATIVE; ETHYLENE DERIVATIVE; HALOGENATED HYDROCARBON; ORGANOSILICON DERIVATIVE; PERFLUORO COMPOUND; PHOSPHINE; PLATINUM COMPLEX; SILANE DERIVATIVE;

ARTICLE; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; ENERGY TRANSFER; GEOMETRY; MOLECULAR INTERACTION; MOLECULAR STABILITY; PRIORITY JOURNAL; THEORETICAL STUDY; VIBRATION;

ALCOHOLS; ALKENES; DRUG STABILITY; ETHYLENES; KETONES; MODELS, MOLECULAR; ORGANOPLATINUM COMPOUNDS; PHOSPHINES;

EID: 34547623242     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0222-7     Document Type: Article

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