Secondary structure elements in polylactic acid models

DOI10.1007/S10910-011-9919-ZzbMath1244.92062OpenAlexW2162285456MaRDI QIDQ427412

Alexandru Lupan, Radu Silaghi-Dumitrescu, Izabella Irsai, Cornelia Majdik

Publication date: 13 June 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-011-9919-z

zbMATH Keywords

tablesDFTmolecular modelingnoncovalent interaction

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Uses Software

• GAUSSIAN
• MOPAC
• HyperChem

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