Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes
type: Item
instance of: scholarly article
title: Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes
zbMATH Open document ID: 1221.81211
author: Diana Bogdan
published in: Physics Letters. A
publication date: 2011-09-27T00:00:00Z
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 81Q05
zbMATH DE Number: 5950816
zbMATH Keywords: \(\alpha \)-cyclodextrin
zbMATH Keywords: butylparaben
zbMATH Keywords: DFT
zbMATH Keywords: molecular dynamics
zbMATH Keywords: electronic structure
zbMATH Keywords: Morokuma-Kitaura energy decomposition
describes a project that uses: GAUSSIAN
MaRDI profile type: Publication
full work available at URL: j.physleta.2008.03.046
OpenAlex ID: W1991631326
DOI: 10.1016/J.PHYSLETA.2008.03.046
description: scientific article; zbMATH DE number 5950816