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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy de S. Langhoff

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy: Understanding Chemical Reactivity, cartea 13

Editat de S. Langhoff
en Limba Engleză Paperback – 12 oct 2012

Din seria Understanding Chemical Reactivity

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Specificații

ISBN-13: 9789401040877
ISBN-10: 9401040877
Pagini: 460
Ilustrații: V, 449 p.
Dimensiuni: 160 x 240 x 24 mm
Greutate: 0.64 kg
Ediția:Softcover reprint of the original 1st ed. 1995
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Understanding Chemical Reactivity

Locul publicării:Dordrecht, Netherlands

Public țintă

Research

Cuprins

1 Exact Quantum Chemistry by Monte Carlo Methods.- 47 Achieving Chemical Accuracy with Coupled-Cluster Theory.- 109 Magnetic Hyperfine Coupling Constants in Free Radicals.- 139 Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies.- 173 Accurate Theoretical Studies of Small Elemental Clusters.- Electronic Spectroscopy of Diatomic Molecules.- 261 Theoretical Spectoscopy of Small Molecules: Ab Initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules.- Theoretical Studies of the Electronic Spectra of Organic Molecules.