- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
In: In: Journal of molecular structure (Theochem) (1986) 138, 59-68.
- Classification
-
Biowissenschaften, Biologie
- Keyword
-
Organische Chemie
- Event
-
Veröffentlichung
- (where)
-
Würzburg
- (who)
-
Universität Würzburg
- (when)
-
2011
- Creator
-
Engels, Bernd
Peyerimhoff, S. D.
- URN
-
urn:nbn:de:bvb:20-opus-58779
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
14.08.2025, 10:47 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.
Associated
- Engels, Bernd
- Peyerimhoff, S. D.
- Universität Würzburg
Time of origin
- 2011
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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
Combining Pyrrole with Boron: Theoretical Investigations and Synthetic Approaches towards Pyrryl-Borane Materials
Theoretical study of the potential energy surface governing the stereochemistry in ClC2H4 reactions
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Theoretical Study of the Reaction O(3P) + C2H4 and comparison with the 3CH3 + C2H4 Reaction
Theoretical investigations of proton transfer and interactions or reactions of covalent and non-covalent inhibitors in different proteins
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Theoretical study of FC2H4
Theoretical investigation of ESR parameters: H2CN and H2CO+
Theoretical Investigations on the Interactions of Small Compounds with their Molecular Environments
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
Combining Pyrrole with Boron: Theoretical Investigations and Synthetic Approaches towards Pyrryl-Borane Materials
Theoretical study of the potential energy surface governing the stereochemistry in ClC2H4 reactions
Theoretical Study of the Dimethylamino Radical (CH3)2N and its protonated cation (CH3)2NH+
Theoretical Study of the Reaction O(3P) + C2H4 and comparison with the 3CH3 + C2H4 Reaction
Theoretical investigations of proton transfer and interactions or reactions of covalent and non-covalent inhibitors in different proteins
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Theoretical study of FC2H4
Theoretical investigation of ESR parameters: H2CN and H2CO+
Theoretical Investigations on the Interactions of Small Compounds with their Molecular Environments
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
Combining Pyrrole with Boron: Theoretical Investigations and Synthetic Approaches towards Pyrryl-Borane Materials
Theoretical study of the potential energy surface governing the stereochemistry in ClC2H4 reactions
Theoretical Study of the Dimethylamino Radical (CH3)2N and its protonated cation (CH3)2NH+
Theoretical Study of the Reaction O(3P) + C2H4 and comparison with the 3CH3 + C2H4 Reaction