Applied Quantum Chemistry: Proceedings of the Nobel Laureate Symposium on Applied Quantum Chemistry in Honor of G. Herzberg, R. S. Mulliken, K. Fukui, W. Lipscomb, and R. Hoffman, Honolulu, HI, 16–21 December 1984
Editat de Vedene H. Smith Jr., Henry F. Schaefer III, Keiji Morokumaen Limba Engleză Paperback – 21 ian 2012
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Specificații
ISBN-13: 9789401086097
ISBN-10: 9401086095
Pagini: 464
Ilustrații: 460 p.
Dimensiuni: 155 x 235 x 24 mm
Greutate: 0.64 kg
Ediția:Softcover reprint of the original 1st ed. 1986
Editura: SPRINGER NETHERLANDS
Colecția Springer
Locul publicării:Dordrecht, Netherlands
ISBN-10: 9401086095
Pagini: 464
Ilustrații: 460 p.
Dimensiuni: 155 x 235 x 24 mm
Greutate: 0.64 kg
Ediția:Softcover reprint of the original 1st ed. 1986
Editura: SPRINGER NETHERLANDS
Colecția Springer
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
Reminiscences — My Forty Years’ Study of Chemical Reactions.- Intuition and Quantum Chemistry.- Potential Energy Surfaces and the Rates of the Reaction OH + OH ? H2O + O.- An Aspect of Electron Delocalization in Chemical Reactions.- Reaction Topology.- Molecular Conformations and Potential Energy Surface Topology.- Quantum Chemical Studies on Reaction Mechanism and Reaction Path.- Multi-Reference Cluster Expansion Theory and an Interaction of Hydrogen Molecule with Palladium.- Very Accurate Coupled Cluster Calculations for Diatomic Systems with Numerical Orbitals.- Well-Tempered Gaussian Basis Sets in SCF and MC SCF Calculations on N2 and P2.- Ab-Initio Molecular Orbital Studies of Structure and Reactivity of Transition Metal-OXO Compounds.- Applications of the LCGTO Local Spin Density Method.- The Structural Rule of Mo-Fe-S Cluster Compounds.- The Protonic Counterpart of Electronegativity and Its Relationship to Electronic and Protonic Hardness.- Bonding and Reactivity of Tungstenacyclobutadiene Complexes.- The Reaction Path of HNO(1A”) Formation from H and NO.- Structures, Stability, and Reactivity of Doubly Bonded Compounds Containing Silicon or Germanium.- Binary SN Ring Systems and Related Heterocyclothiazenes.- On the Uranium-to-Carbon Bonds in Cp3UL Complexes.- Proton Affinity of Germane (GeH4): The Chemical Bond of its Protonated Species (GeH5+).- Chemical Bonding and the Nature of Glass Structure.- Theoretical Study of the Conformational Properties and Torsional Potential Functions of Polyalkylmethacrylate Polymers.- A Theoretical Study of Short S…0 “Non-Bonded” Interactions.- Quantum Chemical Interpretation of Oxidation Number with Ab Initio Molecular Orbital Wavefunctions.- Charge Distributions and Chemical Effects. XLI. Alkane Atomic Charges inEnergy Calculations.- Theoretical Investigations of the Ammonium Radicals NH4, ND4 and NT4: Ground State Stability and Rydberg Transitions.- An Ab Initio Calculation of Vibrational States of the H3O+ Ion.- Vibrational Frequencies of Small Metal Clusters. The Beryllium Tetramer.