Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information (Englisch)
- Neue Suche nach: Levy, Mel
- Neue Suche nach: Clement, Stephen C.
- Neue Suche nach: Tal, Yoram
- Neue Suche nach: Levy, Mel
- Neue Suche nach: Clement, Stephen C.
- Neue Suche nach: Tal, Yoram
In:
Chemical Applications of Atomic and Molecular Electrostatic Potentials
;
29-50
;
1981
- Aufsatz/Kapitel (Buch) / Elektronische Ressource
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Titel:Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information
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Beteiligte:
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Erschienen in:
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Verlag:
- Neue Suche nach: Springer US
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Erscheinungsort:Boston, MA
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Erscheinungsdatum:01.01.1981
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Format / Umfang:22 pages
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ISBN:
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DOI:
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Medientyp:Aufsatz/Kapitel (Buch)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis E-Book
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1
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Introduction: The Role of the Electrostatic Potential in ChemistryPolitzer, Peter / Truhlar, Donald G. et al. | 1981
- 7
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Relationships between the Energies of Atoms and Molecules and the Electrostatic Potentials at Their NucleiPolitzer, Peter et al. | 1981
- 29
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Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order InformationLevy, Mel / Clement, Stephen C. / Tal, Yoram et al. | 1981
- 51
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The Bare-Nuclear Potential as Harbinger for the Electron Density in a MoleculeParr, Robert G. / Berk, Alexander et al. | 1981
- 63
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Atomic Multipole Expansions of Molecular Charge Densities. Electrostatic PotentialsBentley, John et al. | 1981
- 85
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Some Relationships between Different Uses of the Electrostatic PotentialTruhlar, Donald G. et al. | 1981
- 93
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Electrostatic Potential of Free Molecules Derived from Electron Diffraction ResultsFink, M. / Bonham, R. A. et al. | 1981
- 123
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Effective Potentials for Intermediate-Energy Electron Scattering: Testing Theoretical ModelsTruhlar, Donald G. et al. | 1981
- 173
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Adiabatic Polarization Potentials for the Water and Nitrogen Molecules. A Comparison of Large and Small Basis SetsDouglass, C. H. Jr. / Weil, David A. / Charlier, Patricia A. / Eades, Robert A. / Truhlar, Donald G. / Dixon, David A. et al. | 1981
- 215
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Energy Decomposition Analysis of Molecular InteractionsMorokuma, Keiji / Kitaura, Kazuo et al. | 1981
- 243
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The Role of the Electrostatic Potential in Modeling Hydrogen Bonding and Other Non-Covalent InteractionsKollman, Peter A. et al. | 1981
- 257
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Use of the Electrostatic Potential as a Guide to Understanding Molecular PropertiesTomasi, Jacopo et al. | 1981
- 295
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The π-Fluoro Effect: An Empirical Use of Atomic Electrostatic PotentialsLiebman, Joel F. / Politzer, Peter / Rosen, David C. et al. | 1981
- 309
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Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological ActivityWeinstein, Harel / Osman, Roman / Green, Jack Peter / Topiol, Sid et al. | 1981
- 335
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Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic PolymerizationKaufman, Joyce J. / Hariharan, P. C. / Tobin, Frank L. / Petrongolo, Carlo et al. | 1981
- 381
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The Electrostatic Molecular Potential of the Nucleic AcidsPullman, Alberte / Pullman, Bernard et al. | 1981
- 407
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Ectrostatic Potentials in CrystalsSpackman, Mark A. / Stewart, Robert F. et al. | 1981
- 427
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Pseudomolecular Electrostatic Potentials From X-Ray Diffraction DataMoss, Grant / Coppens, Philip et al. | 1981
- 445
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Transition Metal Ions as Probes of the Molecular Electrostatic Potential: The Case for the Nucleic Acid Bases Cytosine and GuanineKistenmacher, Thomas J. et al. | 1981