Theoretical study of hydrated copper(II) interactions with guanine: A computational density functional theory study

Journal of Physical Chemistry A

Volumn 112, Issue 2, 2008, Pages 256-267

  Pavelka, Matěj ^a   Shukla, Manoj K ^b   Leszczynski, Jerzy ^b   Burda, Jaroslav V ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON SPIN DENSITY; ENERGY DECOMPOSITIONS; FOUR-COORDINATE STRUCTURES;

CONFORMATIONS; COPPER; DENSITY FUNCTIONAL THEORY; METAL IONS; OPTIMIZATION; POTENTIAL ENERGY SURFACES;

MOLECULAR INTERACTIONS;

COPPER; GUANINE; LIGAND; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION;

COMPUTER SIMULATION; COPPER; GUANINE; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; WATER;

EID: 38749148070     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074891+     Document Type: Article

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