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Vibrational tunneling spectra of molecules with asymmetric wells: a combined vibrational configuration interaction and instanton approach

• Authors : Eraković, Mihael; Cvitaš, Marko T.

Subjects: Physics - Chemical Physics

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Rationalizing molecular vibration through matrix isolation infrared spectroscopy and vibrational configuration interaction computations

Subjects: Theoretische Chemie; Physikalische Chemie; Molekularspektroskopie

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Vibrationally Resolved Coupled Cluster X-Ray Absorption Spectra from Vibrational Configuration Interaction Anharmonic Calculations

• Authors : Moitra, Torsha; Madsen, Diana; Christiansen, Ove

Subjects: Physics - Chemical Physics

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Vibrationally Resolved Coupled Cluster X-Ray Absorption Spectra from Vibrational Configuration Interaction Anharmonic Calculations

Subjects: article

• Source: Moitra , T , Madsen , D , Christiansen , O & Coriani , S 2020 , ' Vibrationally Resolved Coupled Cluster X-Ray Absorption Spectra from Vibrational

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On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations.

• Authors : Dinu, Dennis F.^1,2,3 (AUTHOR); Podewitz, Maren¹ (AUTHOR); Grothe, Hinrich² (AUTHOR)

• Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Dec2020, Vol. 139 Issue 12, p1-15. 15p.

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Quantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method

• Authors : Fujisaki, Hiroshi; Yagi, Kiyoshi; Hirao, Kimihiko

Subjects: Quantitative Biology - Biomolecules

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Rationalizing molecular vibration through matrix isolation infrared spectroscopy and vibrational configuration interaction computations

• Authors : Dinu, Dennis F

Subjects: Theoretische Chemie; Physikalische Chemie; MolekularspektroskopieUI:CP:PC; UI:CP:AA

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On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations

• Authors : Dennis F. Dinu; Thomas Loerting; Hinrich Grothe

Subjects: Physics; 010304 chemical physics; Field (physics)

• Source: Theoretical Chemistry Accounts

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Advances in vibrational configuration interaction theory : part 1: efficient calculation of vibrational angular momentum terms

• Authors : Mathea, Tina; Rauhut, Guntram

Subjects: 540

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Advances in vibrational configuration interaction theory : part 2: fast screening of the correlation space

• Authors : Mathea, Tina; Petrenko, Taras; Rauhut, Guntram

Subjects: 540

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