Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.

Boschmans, Jasper; Jacobs, Sam; Williams, Jonathan P; Palmer, Martin; Richardson, Keith; Giles, Kevin; Lapthorn, Cris; Herrebout, Wouter A; Lemière, Filip; Sobott, Frank

Boschmans, Jasper; Jacobs, Sam; Williams, Jonathan P; Palmer, Martin; Richardson, Keith; Giles, Kevin; Lapthorn, Cris; Herrebout, Wouter A; Lemière, Filip; Sobott, Frank.

Afiliação

Boschmans J; Biomolecular & Analytical Mass Spectrometry group, Department of Chemistry, University of Antwerp, Antwerp, Belgium. frank.sobott@uantwerpen.be.
Jacobs S; Molecular Spectroscopy group, Department of Chemistry, University of Antwerp, Antwerp, Belgium.
Williams JP; Waters Corporation, Stamford Avenue, Wilmslow, SK9 4AX, UK.
Palmer M; Waters Corporation, Stamford Avenue, Wilmslow, SK9 4AX, UK.
Richardson K; Waters Corporation, Stamford Avenue, Wilmslow, SK9 4AX, UK.
Giles K; Waters Corporation, Stamford Avenue, Wilmslow, SK9 4AX, UK.
Lapthorn C; Faculty of Engineering & Science, University of Greenwich, Medway Campus, Chatham, ME4 4TB, UK.
Herrebout WA; Molecular Spectroscopy group, Department of Chemistry, University of Antwerp, Antwerp, Belgium.
Lemière F; Biomolecular & Analytical Mass Spectrometry group, Department of Chemistry, University of Antwerp, Antwerp, Belgium. frank.sobott@uantwerpen.be.
Sobott F; Biomolecular & Analytical Mass Spectrometry group, Department of Chemistry, University of Antwerp, Antwerp, Belgium. frank.sobott@uantwerpen.be and Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds LS2 9JT, UK and School of Molecular and Cellular Biology, University of

Analyst ; 141(13): 4044-54, 2016 Jun 20.

Article em En | MEDLINE | ID: mdl-27264846

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Analyst Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Bélgica

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