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Modes of Dimerization of the α-Hydroxyamide Group by Agnieszka Szarecka; Urszula Rychlewska; Jacek Rychlewski is a Chemistry article available to read on EtoBox.

What is Modes of Dimerization of the α-Hydroxyamide Group about?

An X-ray diffraction and theoretical study on selected dimeric, mostly cyclic, hydrogen-bonded structures occurring in the crystals of several (R,R)-tartaric acid derivatives and involving u-hydroxyamide moieties is presented. The conformational behaviour of the dimers in both isolated and solvated states is considered theoretically with the use of the RHF/6-3 1lf +G\*\* method and complete geometry optimization. Solvation effects have been included at the SCRF level and the following models have been employed: Onsager, polarized continuum model, and self-consistent isodensity PCM. All types of dimeric structures observed in the crystals have been obtained as stable local energy minima after complete geometry optimization%

Who reads Modes of Dimerization of the α-Hydroxyamide Group?

Author

Agnieszka Szarecka; Urszula Rychlewska; Jacek Rychlewski

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-2860)

Published

1999

Language

EN

Field

Chemistry (Physical Sciences)