(Q58680896)

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

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

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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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publication date

2003

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Journal of Chemical Physics

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118

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7215

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16

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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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https://api.crossref.org/works/10.1063%2F1.1561045

21 January 2018

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10.1063/1.1561045

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