Coupling properties of imidazole dimer radical cation assisted by embedded water molecule: Toward understanding of interaction character of hydrogen-bonded histidine residue side-chains

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Yan, Shihai ^a   Bu, Yuxiang ^a,b  

^a SHANDONG UNIVERSITY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

INTERMOLECULAR HYDROGEN BONDS; RADICAL CATIONS; TRANSITION STATES; VIBRATIONAL FREQUENCIES;

COMPLEXATION; DIMERS; DISSOCIATION; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; ISOMERS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY;

NITROGEN COMPOUNDS;

CATION; HISTIDINE; IMIDAZOLE; IMIDAZOLE DERIVATIVE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DIMERIZATION; HYDROGEN BOND; MATHEMATICS; METHODOLOGY; PHYSICAL CHEMISTRY; PHYSICS; THEORETICAL MODEL; THERMODYNAMICS;

CATIONS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; DIMERIZATION; HISTIDINE; HYDROGEN BONDING; IMIDAZOLES; MATHEMATICS; MODELS, MOLECULAR; MODELS, THEORETICAL; PHYSICS; SOFTWARE; THERMODYNAMICS; WATER;

EID: 39049188790     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1895671     Document Type: Article

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