01023nam a2200265 i 450099100107405970753620020502183230.0951027s1995 it ||| | ita 8842802476b11460015-39ule_instPRUMB54494ExLScuola per assistenti socialiitaChatel, Marie Magdeleine157457Il disagio della procreazione :le donne e la medicina della maternità /Marie-Magdeleine Chatel ; prefazione di Marisa FiumanoMilano :Il Saggiatore,1995140 p. ;20 cm.La cultura. Discussioni ;23Donne e procreazioneFiumano, Marisa.b1146001502-04-1401-07-02991001074059707536LE024 SOC FAM V 1912021000300257le021ex DUSS-E0.00-l- 02020.i1164791701-07-02Disagio della procreazione485904UNISALENTOle02101-01-95ma -itait 3105194nam 2200757Ia 450 991082535940332120200520144314.09786611938604978128193860212819386029780470405918047040591097804704058950470405899(CKB)1000000000556009(EBL)380439(OCoLC)299033635(SSID)ssj0000107348(PQKBManifestationID)11114256(PQKBTitleCode)TC0000107348(PQKBWorkID)10008705(PQKB)11056532(MiAaPQ)EBC380439(Au-PeEL)EBL380439(CaPaEBR)ebr10257600(CaONFJC)MIL193860(OCoLC)228676673(FINmELB)ELB178321(Perlego)2751636(EXLCZ)99100000000055600920080520d2009 uy 0engur|n|---|||||txtccrAtomic charges, bond properties, and molecular energies /Sandor Fliszar1st ed.Hoboken, N.J. Wileyc20091 online resource (248 p.)Description based upon print version of record.9780470376225 0470376228 Includes bibliographical references (p. 219-229) and index.ATOMIC CHARGES, BOND PROPERTIES, AND MOLECULAR ENERGIES; CONTENTS; PREFACE; DEDICATION AND ACKNOWLEDGMENTS; I CHARGE DISTRIBUTIONS; 1 INTRODUCTION; 1.1 The Bond Energy Model; 1.2 Scope; 2 THEORETICAL BACKGROUND; 2.1 The Hartree-Fock Approximation; 2.2 Hartree-Fock-Roothaan Orbitals; 2.3 Configuration Interaction Calculations; 3 CORE AND VALENCE ELECTRONS; 3.1 Introduction; 3.2 Atomic Core and Valence Regions; 3.3 The Valence Region Energy of Atoms; 3.4 Summary; 4 THE VALENCE REGION OF MOLECULES; 4.1 Model; 4.2 The Core-Valence Separation in Real Space4.3 Formula for the Valence Region Energy4.4 Interface with the Orbital Model; 4.5 Approximation for the Valence Energy; 4.6 Perturbation of the Valence Region; 4.7 Summary; 5 INDUCTIVE EFFECTS; ATOMIC CHARGES; 5.1 Introduction; 5.2 The Inductive Effects; 5.3 Meaningful Atomic Charges; 5.4 Selected Reference Net Atomic Charges; 6 ATOMIC CHARGES AND NMR SHIFTS; 6.1 Scope; 6.2 Introduction; 6.3 Merits of Charge-Shift Relationships; 6.4 Aromatic Hydrocarbons; 6.5 Relationships Involving sp(3) Carbon Atoms; 6.6 Relationships Involving Olefinic Carbons; 6.7 Carbon Bonded to Nitrogen or Oxygen6.8 Correlations Involving N-15 NMR Shifts6.9 Correlations Involving O-17 Atoms; 6.10 Summary; 7 CHARGES AND IONIZATION POTENTIALS; 7.1 Conclusion; 8 POPULATION ANALYSIS; 8.1 The Standard Mulliken Formula; 8.2 Modified Population Analysis; 8.3 An Adequate Approximation; 8.4 Conclusions; II CHEMICAL BONDS: ENERGY CALCULATIONS; 9 THERMOCHEMICAL FORMULAS; 9.1 Basic Formulas; 9.2 Zero-Point and Heat Content Energies; 9.3 Concluding Remarks; 10 THE CHEMICAL BOND: THEORY (I); 10.1 Synopsis; 10.2 Nonbonded Interactions; 10.3 Reference Bonds; 10.4 Bond Energy: Working Formulas10.5 Basic Theoretical Parameters10.6 Saturated Molecules; 11 THE CHEMICAL BOND: THEORY (II); 11.1 Valence Atomic Orbital Centroids; 11.2 Unsaturated Systems; 11.3 Recapitulation; 12 BOND DISSOCIATION ENERGIES; 12.1 Scope; 12.2 Theory; 12.3 Nonbonded Interactions; 12.4 Selected Reorganizational Energies; 12.5 Applications; 12.6 Conclusion; III APPLICATIONS; 13 SATURATED HYDROCARBONS; 13.1 Acyclic Alkanes; 13.2 Cycloalkanes; 14 UNSATURATED HYDROCARBONS; 14.1 Olefins; 14.2 Aromatic Molecules; 15 NITROGEN-CONTAINING MOLECULES; 15.1 Amines: Charges of the Carbon Atoms15.2 Nitrogen Charges and Bond Energies15.3 Results; 16 OXYGEN-CONTAINING MOLECULES; 16.1 Ethers; 16.2 Alcohols; 16.3 Carbonyl Compounds; 17 PERSPECTIVES; APPENDIX: WORKING FORMULAS; A.1 Charge-NMR Shift Correlations; A.2 General Energy Formulas; A.3 Bond Energy Formulas; BIBLIOGRAPHY; INDEXThe first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologisChemical bondsAtomic theoryChemical bonds.Atomic theory.541541.224VE 5300rvkVK 5700rvkFliszar Sandor69462MiAaPQMiAaPQMiAaPQBOOK9910825359403321Atomic charges, bond properties, and molecular energies3961334UNINA