Atomic Charges Bond Properties and Molecular Energies / S. Fliszar 411,63 zł | Książki Lit. obcojęzyczna w

Atomic Charges Bond Properties and Molecular Energies (miękka)

lit. obcojęzyczna

  • Wydawnictwo 3a Corporation
  • Oprawa miękka
  • Ilość stron 234
  • darmowa dostawa od 300zł Darmowa dostawa
  • Dostępność niedostępny

Atomic Charges Bond Properties and Molecular Energies - opis produktu:

This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems. The derivations of all the required formulas are given from scratch. They were developed in Professor Fliszar's laboratories, which makes this book a unique first-hand self-contained presentation, entirely based on published material. (First year graduate and advanced undergraduate introductory courses in quantum chemistry offer the required background.) This book offers detailed and accurate information on topics which are often somewhat neglected in formal courses, not because of a lack of interest, but because the required material had not been selected and put together in a convenient review-like fashion. It contains three sections: charge distributions, chemical bonds and energy calculations, and applications. The first section on charge distributions offers a general introduction and is followed by a chapter defining the quantum mechanical variables that are used in a formula featuring the electronic charges carried by the bond-forming atoms. Chapters 3 and 4 describe the partitioning of ground-state atoms into core and valence regions in real space, followed by a similar core-valence partitioning in molecules. Atomic charges are then discussed in chapter 5, followed by a correlation with NMR shifts in chapter 6. The ionization potential of alkanes and population analysis are discussed in chapter 8. Thermochemical formulas and derivation for saturated systems are presented in chapters 9 and 10, respectively, followed by derivation for unsaturated systems and a discussion of the energy of dissociation, which are the subjects of chapters 11 and 12. Chapters 13-16 present comparisons between calculated and experimental enthalpy results for a body of 224 molecules. For example, applications to deoxyadenosine and deoxyguanosine are included, helping to understand the depurination of DNA structures accompanying cancer. The rich bibliography is intended to facilitate future research in this field.
  • Dział: Literatura obcojęzyczna
  • Wydawnictwo: 3a Corporation
  • Oprawa: miękka
  • Okładka: miękka
  • Ilość stron: 234
  • ISBN: 978-0-470-37622-5
  • Wprowadzono: 22.05.2011

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