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Theoretical chemistry / Chemical bonding / Basis set superposition error / Intermolecular forces / Ab initio quantum chemistry methods / Crystal / Møller–Plesset perturbation theory / Water dimer / Hydrogen bond / Chemistry / Quantum chemistry / Computational chemistry


BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1
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Document Date: 2011-06-28 10:46:16


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City

Heidelberg / Cluj-Napoca / /

Company

Hewlett-Packard / Wilson / E AB / Wiley Periodicals Inc. / uncorrected HF / Wiley InterScience / /

Country

Romania / /

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Facility

WA complex / National Institute / /

IndustryTerm

energy correction / computed potential energy surface / projection operator / unc interaction energy / supermolecular energy / perturbation energy / potential energy surface / interaction energy / molecular interaction energy calculations / reasonable binding energy value / rstzero order energy / molecular systems / gas phase / energy / /

Organization

German Cancer Research Center / National Institute for Research and Development of Isotopic and Molecular Technologies / Molecular Biophysics Department / /

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Position

CAO / /

Product

Eqs / BSSE / D95V / /

ProvinceOrState

Alberta / /

PublishedMedium

International Journal of Quantum Chemistry / /

Technology

laser / X-ray / /

URL

www.interscience.wiley.com / /

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