Fundamental World of Quantum Chemistry - nieuw boek

EAN (ISBN-13): 9789401704489
Verschijningsjaar: 2013
Uitgever: Springer Netherlands

Boek bevindt zich in het datenbestand sinds 2015-11-14T23:41:27+01:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2023-01-14T00:19:53+01:00 (Amsterdam)
ISBN/EAN: 9789401704489

ISBN - alternatieve schrijfwijzen:
978-94-017-0448-9
alternatieve schrijfwijzen en verwante zoekwoorden:
Auteur van het boek: erkki
Titel van het boek: world chemistry, quantum chemistry

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Gegevens van de uitgever

Auteur: Erkki J. Brändas; Eugene S. Kryachko
Titel: Fundamental World of Quantum Chemistry - A Tribute to the Memory of Per-Olov Löwdin Volume III
Uitgeverij: Springer; Springer Netherland
677 Bladzijden
Verschijningsjaar: 2013-03-09
Dordrecht; NL
Taal: Engels
362,73 € (DE)
372,90 € (AT)
413,00 CHF (CH)
Available
XLVI, 677 p. 51 illus.

EA; E107; eBook; Nonbooks, PBS / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; bonding; isotope; kinetics; quantum chemistry; structure; theoretical chemistry; A; Theoretical Chemistry; Physical Chemistry; Chemistry and Materials Science; Physikalische Chemie; BB

Per-Olov Löwdin.- In SilicoChemistry: Past, Present and Future.- Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins.- Schrödinger’s Wave Equation — A Lie Algebra Treatment.- On Supersymmetric Quantum Mechanics.- Application of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations.- Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry.- Appendix to “Studies in Perturbation Theory”: The Problem of Partitioning.- Treating Nonadditivity as a Perturbation: a Quasi-Particle Formalism.- Unified Approach to Intensities in Vibrational Spectroscopies via Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule.- Comparison Between the Many-Body Perturbative and Green’s-Function Approaches for Calculating Electron Binding Energies and Affinities: Brueckner and Dyson Orbitals.- Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U.- Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry.- Collisions of Atoms and Molecules in External Magnetic Fields.- Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering.- Relativistic Quantum Chemistry of Heavy and Superheavy Elements: Fully Relativistic Coupled-Cluster Calculations for Molecules of Heavy and Transactinide Superheavy Elements.- Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods.- QED Effects in Heavy Elements.- Time and Time Reversal Symmetry in Quantum Chemical Kinetics.- Solute-Solvent Ineractions from QM SCRF Methods, Analysis of Group Contributions to Solvation.- The Cavity Model with a Surface Formed by Two Intersecting Spheres. An Analytical Treatment.- QuantumMechanical Calculations on Molecules Containing Positrons.- Low-Lying Ionization Potentials of B3N and Photodetachment Energies of B3N- Using The Multiconfigurational Spin Tensor Electron Propagator Method.- Understanding Alkyl Substituent Effects in R-O Bond Dissociation Reactions in Open- and Closed-Shell Systems.- Hydrogen Bonding and the Energetics of Homolytic Dissociation in Solution.- Theoretical Calculations of Kinetic Isotope Effects for a Series of Substituted Aziridines.- Exploring The Catalytic Cycle of the Hydrosylilation of Alkenes Catalyzed by Hydrido-Bridged Diplatinum Complexes Using Electronic Structure Calculation Methods.- Towards A Physical Explanation of the Periodic Table (PT) of Chemical Elements.
The interdisciplinary nature of contemporary Quantum Chemistry places it at the intersection of the well-established sciences of physics, chemistry and biology Excellent coverage for mathematicians and computational chemists Contributions dedicated to one of the most important figures in Quantum Chemistry Written to be accessible by, and of interest to, a broad audience, including chemists, physicists, biophysicists and mathematicians, historians and philosphers