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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 - edition reliée, livre de poche

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… Plus…

NEW BOOK. Frais d'envoi EUR 2.90 AHA-Books, Einbeck, Germany [86569176] [Rating: 4 (of 5)]
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Langhoff, S. (ed.):

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - edition reliée, livre de poche

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… Plus…

Frais d'envoiVersandkostenfrei, 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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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor - nouveau livre

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… Plus…

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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 - edition reliée, livre de poche

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… Plus…

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Stephen R. Langhoff:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - edition reliée, livre de poche

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

NEW BOOK. Frais d'envoi EUR 8.14 THE SAINT BOOKSTORE, Southport, United Kingdom [51194787] [Rating: 5 (of 5)]

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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.

Informations détaillées sur le livre - Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor


EAN (ISBN-13): 9780792332640
ISBN (ISBN-10): 0792332644
Version reliée
Date de parution: 1995
Editeur: Springer-Verlag New York, LLC Core >2

Livre dans la base de données depuis 2007-06-04T12:35:46+02:00 (Zurich)
Page de détail modifiée en dernier sur 2024-02-05T09:37:10+01:00 (Zurich)
ISBN/EAN: 9780792332640

ISBN - Autres types d'écriture:
0-7923-3264-4, 978-0-7923-3264-0
Autres types d'écriture et termes associés:
Auteur du livre: langhoff


Données de l'éditeur

Auteur: S. Langhoff
Titre: Understanding Chemical Reactivity; Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Editeur: Springer Netherland
449 Pages
Date de parution: 1995-02-28
Poids: 0,951 kg
Langue: Anglais
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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