Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Editat de S. Langhoffen Limba Engleză Hardback – 28 feb 1995
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Specificații
ISBN-13: 9780792332640
ISBN-10: 0792332644
Pagini: 462
Dimensiuni: 160 x 241 x 31 mm
Greutate: 0.85 kg
Editura: Springer
Locul publicării:Dordrecht, Netherlands
ISBN-10: 0792332644
Pagini: 462
Dimensiuni: 160 x 241 x 31 mm
Greutate: 0.85 kg
Editura: Springer
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
Exact Quantum Chemistry by Monte Carlo Methods; J.B. Anderson. Achieving Chemical Accuracy with Coupled-Cluster Theory; T.J. Lee, G.E. Scuseria. Magnetic Hyperfine Coupling Constants in Free Radicals; D.M. Chipman. Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies; L.A. Curtiss, K. Raghavachari. Accurate Theoretical Studies of Small Elemental Clusters; K. Raghavachari, L.A. Curtiss. Electronic Spectroscopy of Diatomic Molecules; H. Partridge, S.R. Langhoff, C.W. Bauschlichter Jr. Theoretical Spectroscopy of Small Molecules: Ab Initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules; M. Peric, B. Engels, S.D. Peyerimhoff. Theoretical Studies of the Electronic Spectra of Organic Molecules; B.O. Roos, M. Fulscher, P.-A. Malmqvist, M. Merchan, L. Serrano-Andres. Index.