(Q44988951)

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Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory

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Europe PubMed Central

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8 December 2017

Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory (English)

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Europe PubMed Central

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8 December 2017

perturbation theory

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Johannes Neugebauer

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Johannes Neugebauer

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Bernd A Hess

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8 December 2017

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publication date

1 June 2004

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8 December 2017

Journal of Chemical Physics

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8 December 2017

120

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8 December 2017

24

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8 December 2017

11564-11577

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8 December 2017

Über die Streuung von Strahlung durch Atome

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https://api.crossref.org/works/10.1063%2F1.1697371

21 January 2018

Electronic structure calculations on workstation computers: The program system turbomole

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Density-functional thermochemistry. III. The role of exact exchange

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Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

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Anharmonic force fields from analytic second derivatives: Method and application to methyl bromide

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Quantum chemical calculation of vibrational spectra of large molecules?Raman and IR spectra for Buckminsterfullerene

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Quantum Chemical Calculation of Raman Intensities for Large Molecules: The Photoisomerization of [{Fe‘S4’(PR3)}2(N2H2)] (‘S4’2−= 1,2-bis(2-Mercaptophenylthio)-Ethane(2−))

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21 January 2018

Adiabatic time-dependent density functional methods for excited state properties

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21 January 2018

Fundamental vibrational frequencies of small polyatomic molecules from density-functional calculations and vibrational perturbation theory

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21 January 2018

Identifiers

10.1063/1.1697371

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Europe PubMed Central

PubMed publication ID

8 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

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