Theoretical Analysis of Intramolecular Interaction

DOI10.1007/978-3-540-46375-7_36MaRDI QIDQ2820582zbMATH OpenOpenAlexFDO

Authors Kenta Yamada, Nobuaki Koga

Publication date 9 September 2016

Published in Frontiers of Computational Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-540-46375-7_36

zbMATH Keywords

ethaneintramolecular interactionmBLW method

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(4)

• Conformational effects in acetyl methoxyphenols
• Molecular fragment shape variation index applied to intramolecular interaction studies
• Quantitative perturbational molecular orbital analysis of the conformational preference of aniline molecule and its intramolecular force
• Analysis of weak intermolecular interactions through PIXEL and Hirshfeld surface in hydrous and anhydrous crystal structures of 7-hydroxy-4-methyl coumarin

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• GAUSSIAN

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