Hochschulschrift
Efficient quantum-chemical methods for calculating NMR shieldings in second-order Møller-Plesset perturbation theory
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Notes
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München, Ludwig-Maximilians-Universität, Dissertation, 2014
- Classification
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Chemie
- Event
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Veröffentlichung
- (where)
-
München
- (who)
-
Universitätsbibliothek der Ludwig-Maximilians-Universität
- (when)
-
2014
- Creator
- Contributor
-
Ochsenfeld, Christian
- URN
-
urn:nbn:de:bvb:19-204389
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
14.08.2025, 10:58 AM CEST
Data provider
This object is provided by:
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Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Object type
- Hochschulschrift
Associated
- Maurer, Marina
- Ochsenfeld, Christian
- Universitätsbibliothek der Ludwig-Maximilians-Universität
Time of origin
- 2014
Other Objects (12)
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Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
Measurement of second-order response without perturbation
Quasiparticle energies from second-order perturbation theory
Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large molecules
Interference-corrected explicitly-correlated second-order perturbation theory
Domain-Based Local Pair Natural Orbital Second-Order Møller-Plesset Perturbation Theory, and the Development of its Analytical Gradient
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Consistency conditions for O-plane unsmearing from second-order perturbation theory
Stochastic sensitivity analysis for structural dynamics systems via the second-order perturbation
Calculating Vertical Ionization Energies of Hydrated Biological Chromophores Based on Multiconfigurational Perturbation Theory
Cholesky decomposed density matrices in Laplace transform Møller-Plesset perturbation theory
Superlinear Parallel Scaling of Quadrature Evaluated Second-Order Møller-Plesset Perturbation Theory
Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
Measurement of second-order response without perturbation
Quasiparticle energies from second-order perturbation theory
Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large molecules
Interference-corrected explicitly-correlated second-order perturbation theory
Domain-Based Local Pair Natural Orbital Second-Order Møller-Plesset Perturbation Theory, and the Development of its Analytical Gradient
Niedrig-skalierende Møller-Plesset-Störungstheorie zweiter Ordnung unter Verwendung von Auxiliarbasen und quantenchemische Berechnung von NMR-Verschiebungen supramolekularer Systeme : = Low-order scaling second-order Møller-Plesset perturbation theory using auxiliary basis sets and quantum-chemical calculation of NMR chemical shifts for supramolecular systems
Consistency conditions for O-plane unsmearing from second-order perturbation theory
Stochastic sensitivity analysis for structural dynamics systems via the second-order perturbation
Calculating Vertical Ionization Energies of Hydrated Biological Chromophores Based on Multiconfigurational Perturbation Theory
Cholesky decomposed density matrices in Laplace transform Møller-Plesset perturbation theory
Superlinear Parallel Scaling of Quadrature Evaluated Second-Order Møller-Plesset Perturbation Theory
Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
Measurement of second-order response without perturbation
Quasiparticle energies from second-order perturbation theory
Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large molecules
Interference-corrected explicitly-correlated second-order perturbation theory
Domain-Based Local Pair Natural Orbital Second-Order Møller-Plesset Perturbation Theory, and the Development of its Analytical Gradient
Niedrig-skalierende Møller-Plesset-Störungstheorie zweiter Ordnung unter Verwendung von Auxiliarbasen und quantenchemische Berechnung von NMR-Verschiebungen supramolekularer Systeme : = Low-order scaling second-order Møller-Plesset perturbation theory using auxiliary basis sets and quantum-chemical calculation of NMR chemical shifts for supramolecular systems
Consistency conditions for O-plane unsmearing from second-order perturbation theory
Stochastic sensitivity analysis for structural dynamics systems via the second-order perturbation
Calculating Vertical Ionization Energies of Hydrated Biological Chromophores Based on Multiconfigurational Perturbation Theory