(Q62141454)

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DFT–SQM force field for cobalt corrinoids

scientific article published in December 2000

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DFT–SQM force field for cobalt corrinoids (English)

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Tadeusz Andruniow

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Marek Z. Zgierski

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2

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Pawel M. Kozlowski

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3

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publication date

December 2000

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published in

Chemical Physics Letters

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volume

331

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issue

5-6

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page(s)

502-508

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cites work

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

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7 January 2021

The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

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https://api.crossref.org/works/10.1016%2FS0009-2614%2800%2901210-0

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7 January 2021

Assignment of the Fe-Nϵ (His F8) stretching band in the resonance Raman spectra of deoxy myoglobin

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https://api.crossref.org/works/10.1016%2FS0009-2614%2800%2901210-0

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7 January 2021

New light on the Co–C bond activation in B12-dependent enzymes from density functional theory

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https://api.crossref.org/works/10.1016%2FS0009-2614%2800%2901210-0

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7 January 2021

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10.1016/S0009-2614(00)01210-0

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(Q62141454)

DFT–SQM force field for cobalt corrinoids

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