Modeling of the 'hydration shell' of uracil and thymine in small water clusters by DFT and MP2 methods

Chemical Physics Letters

Volumn 429, Issue 1-3, 2006, Pages 255-260

  Danilov, Victor I ^a   van Mourik, Tanja ^b,c   Poltev, Valery I ^d,e  

^a INSTITUTE OF MOLECULAR BIOLOGY AND GENETICS   (Ukraine)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF ST ANDREWS   (United Kingdom)

^d BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

^e INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

GEOMETRY; HYDRATION; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; WATER;

BASE WATER INTERACTIONS; GEOMETRY OPTIMIZATIONS; THYMINE; URACIL;

ORGANIC COMPOUNDS;

EID: 33748542952     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.08.035     Document Type: Article

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