1986, ISBN: 9027721769
[EAN: 9789027721761], Neubuch, [SC: 0.0], [PU: Springer Netherlands], PHYSIKALISCHE CHEMIE; CONFIGURATIONINTERACTION; H2O2; TRANSITIONSTATE; CHEMISTRY; CLUSTER; DENSITY; DEVELOPMENT; ELEC… Meer...
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1986, ISBN: 9789027721761
Gebunden, 356 Seiten, 241mm x 160mm x 24mm, Sprache(n): eng The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy… Meer...
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ISBN: 9789027721761
The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid… Meer...
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1986, ISBN: 9027721769
1986 Gebundene Ausgabe Physikalische Chemie, ConfigurationInteraction; H2O2; Transitionstate; chemistry; cluster; density; Development; Electron; growth; information; perturbationtheory… Meer...
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1986, ISBN: 9027721769
[EAN: 9789027721761], Neubuch, [SC: 0.0], [PU: Springer Netherlands], PHYSIKALISCHE CHEMIE CONFIGURATIONINTERACTION H2O2 TRANSITIONSTATE CHEMISTRY CLUSTER DENSITY DEVELOPMENT ELECTRON GRO… Meer...
ZVAB.com moluna, Greven, Germany [73551232] [Rating: 4 (von 5)] NEW BOOK. Verzendingskosten:Versandkostenfrei. (EUR 0.00) Details... |
1986, ISBN: 9027721769
[EAN: 9789027721761], Neubuch, [SC: 0.0], [PU: Springer Netherlands], PHYSIKALISCHE CHEMIE; CONFIGURATIONINTERACTION; H2O2; TRANSITIONSTATE; CHEMISTRY; CLUSTER; DENSITY; DEVELOPMENT; ELEC… Meer...
1986, ISBN: 9789027721761
Gebunden, 356 Seiten, 241mm x 160mm x 24mm, Sprache(n): eng The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy… Meer...
ISBN: 9789027721761
The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid… Meer...
1986, ISBN: 9027721769
1986 Gebundene Ausgabe Physikalische Chemie, ConfigurationInteraction; H2O2; Transitionstate; chemistry; cluster; density; Development; Electron; growth; information; perturbationtheory… Meer...
1986, ISBN: 9027721769
[EAN: 9789027721761], Neubuch, [SC: 0.0], [PU: Springer Netherlands], PHYSIKALISCHE CHEMIE CONFIGURATIONINTERACTION H2O2 TRANSITIONSTATE CHEMISTRY CLUSTER DENSITY DEVELOPMENT ELECTRON GRO… Meer...
Bibliografische gegevens van het best passende boek
Gedetalleerde informatie over het boek. - Geometrical Derivatives of Energy Surfaces and Molecular Properties
EAN (ISBN-13): 9789027721761
ISBN (ISBN-10): 9027721769
Gebonden uitgave
Verschijningsjaar: 1986
Uitgever: Springer-Verlag GmbH
356 Bladzijden
Gewicht: 0,695 kg
Taal: eng/Englisch
Boek bevindt zich in het datenbestand sinds 2007-06-04T21:22:12+02:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2024-03-06T10:16:55+01:00 (Amsterdam)
ISBN/EAN: 9027721769
ISBN - alternatieve schrijfwijzen:
90-277-2176-9, 978-90-277-2176-1
alternatieve schrijfwijzen en verwante zoekwoorden:
Auteur van het boek: jorgensen, simons, simon, jürgensen, jörgensen, jørgensen
Titel van het boek: geometrical derivatives energy surfaces molecular properties, geometric
Gegevens van de uitgever
Auteur: Poul Jørgensen; Jack Simons
Titel: Nato Science Series C:; Geometrical Derivatives of Energy Surfaces and Molecular Properties
Uitgeverij: Springer; Springer Netherland
342 Bladzijden
Verschijningsjaar: 1986-02-28
Dordrecht; NL
Taal: Engels
160,49 € (DE)
164,99 € (AT)
177,00 CHF (CH)
Available
X, 342 p.
BB; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; Configuration Interaction; H2O2; Transition state; chemistry; cluster; density; development; electron; energy; growth; information; perturbation theory; quantum chemistry; spectroscopy; structure; Physical Chemistry; BC
Hamiltonian Expansion in Geometrical Distortions.- MCSCF Analytical Energy Derivatives Using a Response Function Approach.- Configuration Interaction Energy Derivatives.- Analytical Evaluation of Gradients in Coupled-Cluster and Many-Body Perturbation Theory.- MCSCF Energy Derivatives Using Fock Operator Methods.- Third and Fourth Derivatives of the Hartree-Fock Energy: Formalism and Applications.- Strategies of Gradient Evaluation for Dynamical Electron Correlation.- MBPT Evaluation of Energy Derivatives Using Fock-Operator Methods.- Calculation of Dipole Moments, Polarizabilities and Their Geometrical Derivatives.- The Calculation of Dipole Moment and Polarizability Derivatives with SCF Wavefunctions.- A Unified Treatment of Energy Derivatives and Non-Adiabatic Coupling Matrix Elements.- Geometrical Derivatives of Frequency-Dependent Properties.- Energy Derivatives and Symmetry.- Techniques Used in Evaluating Orbital and Wavefunction Coefficients and Property Derivatives — eg The Evaluation of M(B)P(T)-2 Second Derivatives.- The Evaluation of the Wave Function Response Contributions to the Geometrical Derivatives of the Electronic Energy.- Single Configuration SCF Second Derivatives on a Cray.- Direct Methods in the Calculation of Analytical Derivatives of Energy Surfaces and Molecular Properties.- Walking on MCSCF Potential Energy Surfaces: Application to H2O2 and NH3.- The Location and Characterization of Stationary Points on Molecular Potential Energy Surfaces.- Newton Based Optimization Procedures for Searching Potential Energy Surfaces.- Electric Dipole and Electronic Transition Moment Functions in Molecular Spectroscopy.- Relationship Between Raman Intensities and Derivatives of the Dipole Polarizability.- Chemical Applications of Energy Derivatives: FrequencyShifts as a Probe of Molecular Structure in Weak Complexes.- Chemical Applications of Energy Derivatives: Are Second Derivatives Enough?.- On the Graphical Display of Molecular Electrostatic Force-Fields and Gradients of the Electron Density.- Participants.Andere boeken die eventueel grote overeenkomsten met dit boek kunnen hebben:
Laatste soortgelijke boek:
9789400945845 Geometrical Derivatives of Energy Surfaces and Molecular Properties (Poul Jørgensen; Jack Simons)
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