The hyperfine coupling constants of the five lowest states of CH : An ab initio MRD-CI study

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Location: Deutsche Nationalbibliothek Frankfurt am Main

Extent: Online-Ressource

Language: Englisch

Bibliographic citation: In: In: Chemical physics letters (1988) 152, 397-401.

Classification: Physik

Keyword: Organische Chemie

Event: Veröffentlichung

(where): Würzburg

(who): Universität Würzburg

(when): 2011

Creator: Engels, Bernd
Peyerimhoff, S.D.
Karna, S. P.
Grein, F.

URN: urn:nbn:de:bvb:20-opus-58807

Rights: Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 25.03.2025, 1:52 PM CET

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Associated

Engels, Bernd
Peyerimhoff, S.D.
Karna, S. P.
Grein, F.
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+

Ab initio calculations of the vibronically averaged values for the hyperfine coupling constants in NH2, NHD and ND2

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Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

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Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants

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

Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter

The hyperfine coupling constants of 19F2

Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

Hochschulschrift

Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern

Ab initio investigation of the vibronic structure of the C2H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants

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

Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter

The hyperfine coupling constants of 19F2

Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

Hochschulschrift

Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern

Ab initio investigation of the vibronic structure of the C2H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

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The hyperfine coupling constants of the five lowest states of CH : An ab initio MRD-CI study

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Other Objects (12)

Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants

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

Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter

The hyperfine coupling constants of 19F2

Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern

Ab initio investigation of the vibronic structure of the C2H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants

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

Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter

The hyperfine coupling constants of 19F2

Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern

Ab initio investigation of the vibronic structure of the C2H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants

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

Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter

The hyperfine coupling constants of 19F2

Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen

Untersuchung von Hyperfeinkopplungskonstanten in Abhängigkeit von Basissatz und CI-Parametern

Ab initio investigation of the vibronic structure of the C2H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl2-

Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H2O+

Ab initio investigation of the vibronic structure of the C2H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states

The hyperfine coupling constants of the X3 Σ- state of NH : Inftuence of polarization functions and configuration space on thedescription of spin polarization

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