A partial exploration of the potential energy surfaces of SCN and HSCN: Implications for the enzyme-mediated detoxification of cyanide

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 2, 2009, Pages 183-186

  Zottola, Mark A ^a,b  

^a UNIVERSITY OF ALABAMA AT BIRMINGHAM   (United States)

^b US ARMY MEDICAL RESEARCH INSTITUTE OF CHEMICAL DEFENSE   (United States)

Author keywords

Cyanide; Cyanide detoxification; Potential energy surface; Quantum mechanics; Rhodanese; Thiocyanate

Indexed keywords

ANALYTICAL METHOD; CHEMICAL WEAPONS; HYDROGEN CYANIDE; MULTI-MODAL; QUANTUM MECHANICS; RHODANESE; THIOCYANATE;

DETOXIFICATION; ENZYMES; HYDROGEN; INORGANIC ACIDS; IONS; MECHANICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR; SURFACE PHENOMENA;

CYANIDES;

CHEMICAL WARFARE AGENT; CYANIDE; HYDROGEN CYANIDE; THIOCYANATE; THIOCYANIC ACID DERIVATIVE; THIOSULFATE SULFURTRANSFERASE;

ARTICLE; CHEMICAL STRUCTURE; DETOXIFICATION; ENERGY RESOURCE; PRIORITY JOURNAL; PROTON TRANSPORT;

CYANIDES; MODELS, CHEMICAL; THERMODYNAMICS; THIOCYANATES; THIOSULFATE SULFURTRANSFERASE;

EID: 70349337024     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.06.005     Document Type: Article

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