Hochschulschrift
New Tabu-Search Algorithms for the Exploration of Energy Landscapes of Molecular Systems
- Alternative title
-
Neue Tabu-Search Algorithmen zur Untersuchung von Energielandschaften molekularer Systeme
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Notes
-
Würzburg, Universität Würzburg, Diss., 2013
- Keyword
-
Globale Optimierung ; Kraftfeld ; Kraftfeld-Rechnung ; Übergangszustand ; Computational chemistry ; Theoretische Chemie
Quantenchemie
- Event
-
Veröffentlichung
- (where)
-
Würzburg
- (who)
-
Universitätsbibliothek der Universität Würzburg
- (when)
-
2013
- Creator
- Contributor
-
Engels, Bernd
- URN
-
urn:nbn:de:bvb:20-opus-75591
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
14.08.2025, 10:53 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Object type
- Hochschulschrift
Associated
- Grebner, Christoph
- Engels, Bernd
- Universitätsbibliothek der Universität Würzburg
Time of origin
- 2013
Other Objects (12)
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants
Estimation of the influence of the configurations neglected within truncated MR-CI wavefunctions on molecular properties
Detailed study of the configuration selected multi-reference configuration interaction method combined with perturbation theory to correct the wave function
Quantum Chemical Exploration of Potential Energy Surfaces: Reaction Cycles and Luminescence Phenomena
Computational Investigation of Pathogenic Enzymes and their Covalent Inhibition
Prediction of charge and energy transport in organic crystals with quantum chemical protocols employing the hopping model
Theoretical investigation of ESR parameters: H2CN and H2CO+
Theoretical study of the bridging in β-Halo Ethyl
Study of orbital transformations in configurational interaction calculation of hyperfine coupling in nitrogen and CH molecule
Mechanistic Insights into the Inhibition of Cathepsin B and Rhodesain with Low-Molecular Inhibitors
Theoretical Investigations on the Interactions of Small Compounds with their Molecular Environments
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants
Estimation of the influence of the configurations neglected within truncated MR-CI wavefunctions on molecular properties
Detailed study of the configuration selected multi-reference configuration interaction method combined with perturbation theory to correct the wave function
Quantum Chemical Exploration of Potential Energy Surfaces: Reaction Cycles and Luminescence Phenomena
Computational Investigation of Pathogenic Enzymes and their Covalent Inhibition
Prediction of charge and energy transport in organic crystals with quantum chemical protocols employing the hopping model
Theoretical investigation of ESR parameters: H2CN and H2CO+
Theoretical study of the bridging in β-Halo Ethyl
Study of orbital transformations in configurational interaction calculation of hyperfine coupling in nitrogen and CH molecule
Mechanistic Insights into the Inhibition of Cathepsin B and Rhodesain with Low-Molecular Inhibitors
Theoretical Investigations on the Interactions of Small Compounds with their Molecular Environments
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants
Estimation of the influence of the configurations neglected within truncated MR-CI wavefunctions on molecular properties
Detailed study of the configuration selected multi-reference configuration interaction method combined with perturbation theory to correct the wave function
Quantum Chemical Exploration of Potential Energy Surfaces: Reaction Cycles and Luminescence Phenomena
Computational Investigation of Pathogenic Enzymes and their Covalent Inhibition
Prediction of charge and energy transport in organic crystals with quantum chemical protocols employing the hopping model
Theoretical investigation of ESR parameters: H2CN and H2CO+
Theoretical study of the bridging in β-Halo Ethyl
Study of orbital transformations in configurational interaction calculation of hyperfine coupling in nitrogen and CH molecule
Mechanistic Insights into the Inhibition of Cathepsin B and Rhodesain with Low-Molecular Inhibitors