Copper cation interactions with biologically essential types of ligands: A computational DFT study

Journal of Physical Chemistry A

Volumn 110, Issue 14, 2006, Pages 4795-4809

  Pavelka, Matěj ^a   Šimánek, Milan ^a   Šponer, Jiří ^b   Burda, Jaroslav V ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

^b INSTITUTE OF BIOPHYSICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; COORDINATION REACTIONS; MOLECULAR STRUCTURE; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

AQUA LIGAND FIELDS; BIOINORGANIC FORCE FIELDS; CU-BINDING PROPERTIES; HYDROGEN SULFIDE-AQUA-AMMINE LIGAND FIELDS;

COPPER;

AMMONIA; CATION; COPPER; HYDROGEN SULFIDE; LIGAND; WATER;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; AMMONIA; CATIONS; COMPUTER SIMULATION; COPPER; HYDROGEN SULFIDE; LIGANDS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 33646232487     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056868z     Document Type: Article

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