LEADER 01090cam0 2200289 450 001 E600200015168 005 20211018112029.0 010 $a8870181839 100 $a20051206d1993 |||||ita|0103 ba 101 $aita 102 $aIT 200 1 $a<>"Athenaion Politeia" di Aristotele$fcur. Lia R.Crisci$gLuigi Piccirilli 210 $aGenova$cIl Melangolo$d1993 215 $a158 p.$d21 cm 225 2 $aUniversità$eseries historica$x32 410 1$1001LAEC00021782$12001 $a*Università : series historica, 32 702 1$aCresci, Lia R.$3A600200034067$4070 702 1$aPiccirilli, Luigi$3A600200034068$4070 801 0$aIT$bUNISOB$c20211018$gRICA 850 $aUNISOB 852 $aUNISOB$jFondo|Crie$m127820 912 $aE600200015168 940 $aM 102 Monografia moderna SBN 941 $aM 957 $aFondo|Crie$b000312$gSi$d127820$hCrie$racquisto$1diguida$2UNISOB$3UNISOB$420051206091920.0$520211018112029.0$6bethb$fPer le modalità di consultazione vedi homepage della Biblioteca link Fondi 996 $aAthenaion Politeia di Aristotele$91021477 997 $aUNISOB LEADER 05319nam 2200685 a 450 001 9911020091803321 005 20200520144314.0 010 $a9786610449101 010 $a9781280449109 010 $a1280449101 010 $a9780470300350 010 $a0470300353 010 $a9780470863343 010 $a047086334X 010 $a9780470863336 010 $a0470863331 035 $a(CKB)1000000000356049 035 $a(EBL)257713 035 $a(OCoLC)71626493 035 $a(SSID)ssj0000180990 035 $a(PQKBManifestationID)11168011 035 $a(PQKBTitleCode)TC0000180990 035 $a(PQKBWorkID)10150291 035 $a(PQKB)11298666 035 $a(MiAaPQ)EBC257713 035 $a(Perlego)2770033 035 $a(EXLCZ)991000000000356049 100 $a20050725d2006 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aIntermolecular interactions $ephysical picture, computational methods, model potentials /$fIlya G. Kaplan 210 $aHoboken, NJ $cWiley$dc2006 215 $a1 online resource (381 p.) 300 $aDescription based upon print version of record. 311 08$a9780470863329 311 08$a0470863323 320 $aIncludes bibliographical references and index. 327 $aIntermolecular Interactions: Physical Picture, Computational Methods and Model Potentials; Contents; Preface; 1 Background Knowledge; 1.1 The Subject and its Specificity; 1.2 A Brief Historical Survey; 1.3 The Concept of Interatomic Potential and Adiabatic Approximation; 1.4 General Classification of Intermolecular Interactions; References; 2 Types of Intermolecular Interactions: Qualitative Picture; 2.1 Direct Electrostatic Interactions; 2.1.1 General expressions; 2.1.2 Multipole moments; 2.1.3 Multipole-multipole interactions; 2.2 Resonance Interaction; 2.3 Polarization Interactions 327 $a2.3.1 Induction interactions2.3.2 Dispersion interactions; 2.4 Exchange Interaction; 2.5 Retardation Effects in Long-Range Interactions and the Influence of Temperature; 2.6 Relativistic (Magnetic) Interactions; 2.7 Interaction Between Macroscopic Bodies; References; 3 Calculation of Intermolecular Interactions; 3.1 Large Distances; 3.1.1 Derivation of the general expression for the multipole expansion of the Coulomb interaction energy operator; 3.1.2 Interaction energy of two atoms in S-states; 3.1.3 Dispersion and induction interactions of molecular systems 327 $a3.1.4 Convergence of the multipole expansion3.1.4.1 Perturbation series and the multipole expansion; 3.1.4.2 Study of the convergence of the multipole expansion; 3.1.5 Elimination of divergence in the multipole expansion; 3.2 Intermediate and Short Distances; 3.2.1 Perturbation theory with exchange; 3.2.1.1 Ambiguity of the exchange-perturbation theory series; 3.2.1.2 Symmetry adapted perturbation theories; 3.2.1.3 Methods allowing the standard Rayleigh- Schr ?odinger perturbation theory to be applied; 3.2.2 Variational methods 327 $a3.2.2.1 The Hartree-Fock approximation and accounting for the electron correlation3.2.2.2 Basis set superposition error; 3.2.2.3 Density functional theory; References; 4 Nonadditivity of Intermolecular Interactions; 4.1 Physical Nature of Nonadditivity and the Definition of Many-Body Forces; 4.2 Manifestations of Nonadditive Effects; 4.3 Perturbation Theory and Many-Body Decomposition; 4.3.1 General formulae; 4.3.2 Proof of the additivity of the dispersion energy in the second order of PT; 4.3.3 The dispersion energies of higher orders; 4.4 Many-Body Effects in Atomic Clusters 327 $a4.4.1 Rare gas clusters4.4.2 Metal clusters; 4.4.3 Nature of binding in alkaline-earth clusters; 4.4.3.1 Why the study of binding of alkaline-earth elements is important; 4.4.3.2 Nature of binding in dimers and trimers; 4.4.3.3 Population of vacant atomic orbitals; 4.5 Atom-Atom Potential Scheme and Nonadditivity; References; 5 Model Potentials; 5.1 Semiempirical Model Potentials; 5.1.1 Hard-sphere model potentials; 5.1.2 Lennard-Jones potential; 5.1.3 Modifications of the Lennard-Jones potential; 5.1.3.1 (12-6-4) potential; 5.1.3.2 (m-6-8) potential; 5.1.3.3 Kihara potential 327 $a5.1.4 Buckingham potential 330 $aThe subject of this book - intermolecular interactions - is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, 606 $aMolecular dynamics 606 $aIntermolecular forces 615 0$aMolecular dynamics. 615 0$aIntermolecular forces. 676 $a541/.394 700 $aKaplan$b I. G$g(Ilia Grigorevich)$0598655 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9911020091803321 996 $aIntermolecular interactions$92186498 997 $aUNINA