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010   $a1-281-87676-3
010   $a9786611876760
010   $a981-256-436-5
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100   $a20000714d2003      uy             0
101 0 $aeng
135   $aurcn|||||||||
181   $ctxt
182   $cc
183   $acr
200 00$aComputational chemistry$b[electronic resource] $hVolume 8 $ereviews of current trends /$feditor, Jerzy Leszczynski
210   $aSingapore $cWorld Scientific$dc2003
215   $a1 online resource (361 p.)
300   $aDescription based upon print version of record.
311   $a981-238-702-1 
320   $aIncludes bibliographical references.
327   $aPREFACE; CONTENTS; Chapter 1: Computational Modelling of the Solvent Effects  on Molecular Properties; Chapter 2: Electronic and Nonlinear Optical Properties of 2-Methyl-4-Nitroaniline Clusters; Chapter 3: Ab Initio Calculations of the Intermolecular Nuclear Spin-Spin Coupling Constants; Chapter 4: Base Polyad Motifs in Nucleic Acids-Biological Significance, Occurrence in Three-Dimensional Experimental...; Chapter 5: Model Calculations of Radiation Induced Damage in DNA Constituents Using Density Functional Theory; Chapter 6: Excited States of Nucleic Acid Bases; INDEX
330   $aChapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components.
606   $aChemistry$xMathematics
606   $aParallel computers
608   $aElectronic books.
615  0$aChemistry$xMathematics.
615  0$aParallel computers.
676   $a540.151
701   $aLeszczynski$b Jerzy$f1949-$0933516
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910449870703321
996   $aComputational chemistry$92101727
997   $aUNINA