A Multireference Configuration Interaction Study of the Hyperfine Structure of the Molecules CCO, CNN and NCN in their triplet ground states
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Bibliographic citation
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In: In: Journal of Chemical Physics (1994) 101, 7686-7691.
- Classification
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Chemie
- Keyword
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Organische Chemie
- Event
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Veröffentlichung
- (where)
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Würzburg
- (who)
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Universität Würzburg
- (when)
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2011
- Creator
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Suter, H. U.
Huang, M.-B.
Engels, Bernd
- URN
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urn:nbn:de:bvb:20-opus-59108
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
14.08.2025, 10:47 AM CEST
Data provider
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Associated
- Suter, H. U.
- Huang, M.-B.
- Engels, Bernd
- Universität Würzburg
Time of origin
- 2011
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Ab initio calculation of the vibronically averaged hyperfine coupling constants in the 12Πu electronic state of CH2+
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Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants
Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern
Study of orbital transformations in configurational interaction calculation of hyperfine coupling in nitrogen and CH molecule
Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen
Ab initio calculation of the vibronically averaged hyperfine coupling constants in the 12Πu electronic state of CH2+
Ab initio calculations of the vibronically averaged values for the hyperfine coupling constants in NH2, NHD and ND2
The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization
The hyperfine coupling constants of 19F2
Estimation of the influence of the configurations neglected within truncated MR-CI wavefunctions on molecular properties
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Ab initio investigation of the hyperfine structure in the 12Πu(X2A1, A2B1) system of BH2