02594nam 2200589Ia 450 991044987070332120200520144314.01-281-87676-39786611876760981-256-436-5(CKB)1000000000033261(EBL)234374(OCoLC)85036128(SSID)ssj0000127566(PQKBManifestationID)11159621(PQKBTitleCode)TC0000127566(PQKBWorkID)10051891(PQKB)10393667(MiAaPQ)EBC234374(WSP)00005429(Au-PeEL)EBL234374(CaPaEBR)ebr10083769(OCoLC)851611893(EXLCZ)99100000000003326120000714d2003 uy 0engurcn|||||||||txtccrComputational chemistry[electronic resource] Volume 8 reviews of current trends /editor, Jerzy LeszczynskiSingapore World Scientificc20031 online resource (361 p.)Description based upon print version of record.981-238-702-1 Includes bibliographical references.PREFACE; 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; INDEXChapter 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.ChemistryMathematicsParallel computersElectronic books.ChemistryMathematics.Parallel computers.540.151Leszczynski Jerzy1949-933516MiAaPQMiAaPQMiAaPQBOOK9910449870703321Computational chemistry2101727UNINA