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Vibrational effects on the dynamic electric properties of hydrogen peroxide
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10.1063/1.2834220
/content/aip/journal/jcp/128/6/10.1063/1.2834220
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/6/10.1063/1.2834220
View: Tables

Tables

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Table I.

Harmonic vibrational frequencies (in ) of hydrogen peroxide.

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Table II.

Torsional energies (in ) of hydrogen peroxide.

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Table III.

Electronic contributions to the polarizability and hyperpolarizabilities (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table IV.

Zero-point vibrational average contribution to the polarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table V.

Zero-point vibrational average contribution to the first hyperpolarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table VI.

Zero-point vibrational average contribution to the second hyperpolarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table VII.

Pure vibrational contribution to the polarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table VIII.

Pure vibrational contribution to the first hyperpolarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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Table IX.

Pure vibrational contribution to the second hyperpolarizability (in a.u.) of hydrogen peroxide calculated at the TDHF level.

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/content/aip/journal/jcp/128/6/10.1063/1.2834220
2008-02-11
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational effects on the dynamic electric properties of hydrogen peroxide
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/6/10.1063/1.2834220
10.1063/1.2834220
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