From the isolated molecule to oligomers and the crystal : a static density functional theory and Car-Parrinello molecular dynamics study of geometry and potential function modifications of the short intramolecular hydrogen bond in picolinic acid N-oxide

Panek, Jarosław; Stare, Jernej; Had ži, Dušan

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From the isolated molecule to oligomers and the crystal : a static density functional theory and Car-Parrinello molecular dynamics study of geometry and potential function modifications of the short intramolecular hydrogen bond in picolinic acid N-oxide

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Title: From the isolated molecule to oligomers and the crystal : a static density functional theory and Car-Parrinello molecular dynamics study of geometry and potential function modifications of the short intramolecular hydrogen bond in picolinic acid N-oxide
Journal title: Journal of Physical Chemistry A
Creator: Panek, Jarosław ; Stare, Jernej ; Had ži, Dušan
Pages: s. 7417-7423
Description: Zawiera wykresy. ; Zawiera ilustracje. ; Bibliogr.
Date issued: 2004
Type: Tekst
Language: eng
Detailed object type: art
Object type: Artykuł
Location: Vol. 108 (2004), s. 7417-7423 : il.

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