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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - S. Langhoff
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S. Langhoff:

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - encadernado, livro de bolso

1995, ISBN: 0792332644

[EAN: 9780792332640], New book, [PU: SPRINGER NATURE Feb 1995], SCIENCE; SCIENCE / CHEMISTRY PHYSICAL & THEORETICAL; PHYSICS NUCLEAR, Besorgungstitel Neuware - Rare Book Procurement - The… mais…

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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - Langhoff, S. (ed.)
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Langhoff, S. (ed.):

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - encadernado, livro de bolso

ISBN: 9780792332640

[ED: Hardcover], [PU: Springer Netherlands], The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. Whi… mais…

Custos de envio:Versandkostenfrei, Versand nach Deutschland. (EUR 0.00) buecher.de GmbH & Co. KG
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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor
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ISBN: 9780792332640

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed t… mais…

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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - Langhoff, S.
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Langhoff, S.:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - encadernado, livro de bolso

1995, ISBN: 9780792332640

[ED: Gebunden], [PU: Springer Netherlands], Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. The principal focus of this volume is to illus… mais…

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Stephen R. Langhoff:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - encadernado, livro de bolso

1995, ISBN: 0792332644

[EAN: 9780792332640], New book, [PU: Kluwer Academic Publishers], This item is printed on demand. New copy - Usually dispatched within 5-9 working days, Books

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

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.

Dados detalhados do livro - Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor


EAN (ISBN-13): 9780792332640
ISBN (ISBN-10): 0792332644
Livro de capa dura
Ano de publicação: 1995
Editor/Editora: Springer-Verlag New York, LLC Core >2

Livro na base de dados desde 2007-06-04T11:35:46+01:00 (Lisbon)
Página de detalhes modificada pela última vez em 2024-02-05T08:37:10+00:00 (Lisbon)
Número ISBN/EAN: 9780792332640

Número ISBN - Ortografia alternativa:
0-7923-3264-4, 978-0-7923-3264-0
Ortografia alternativa e termos de pesquisa relacionados:
Autor do livro: langhoff


Dados da editora

Autor: S. Langhoff
Título: Understanding Chemical Reactivity; Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Editora: Springer Netherland
449 Páginas
Ano de publicação: 1995-02-28
Peso: 0,951 kg
Língua: Inglês
85,55 € (DE)
87,95 € (AT)
106,50 CHF (CH)
Not available (reason unspecified)

BB; GB; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; Research; BC

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.

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