List of works - Udo Schnupf

27 ps DFT molecular dynamics simulation of alpha-maltose: A reduced basis set study.

scientific article published in August 2010

Caffeine and sugars interact in aqueous solutions: a simulation and NMR study.

scientific article

Comparison of the simulations of cellulosic crystals with three carbohydrate force fields.

scientific article published on 11 January 2016

DFT conformation and energies of amylose fragments at atomic resolution. Part 1: Syn forms of alpha-maltotetraose.

scientific article

DFT conformation and energies of amylose fragments at atomic resolution. Part 2: 'Band-flip' and 'kink' forms of alpha-maltotetraose.

scientific article

DFT conformational studies of alpha-maltotriose.

scientific article published in May 2008

DFT energy optimization of a large carbohydrate: cyclomaltohexaicosaose (CA-26)

scientific article published on 23 December 2011

DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps

scientific article published on 03 July 2007

DFT study of alpha- and beta-D-allopyranose at the B3LYP/6-311++G ** level of theory

scientific article published on 15 December 2006

DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory.

scientific article published on 18 January 2006

DFTMD studies of β-cellobiose: conformational preference using implicit solvent

scientific article published on 15 January 2011

DFTr studies of five- and six-residue cyclic-β(1→4) cellulosic molecules

scientific article published on 21 February 2012

Experimental and theoretical investigation of the A 3pi-X 2sigma- transition of NH/D-Ne

scientific article published in March 2005

Experimental and theoretical studies of the CN-Ar van der Waals complex

scientific article published on 01 March 2008

Free energy surfaces for the interaction of D-glucose with planar aromatic groups in aqueous solution

scientific article

Male-specific sesquiterpenes from Phyllotreta flea beetles.

scientific article published on 22 February 2011

Molecular dynamics simulation studies of caffeine aggregation in aqueous solution

scientific article

Spectroscopic and theoretical characterization of the A2delta-X2pi transition of CH-Ne

scientific article

Spectroscopy, dissociation dynamics, and potential energy surfaces for CN(A)-Ar

scientific article published on 01 June 2008

Sugar-binding sites on the surface of the carbohydrate-binding module of CBH I from Trichoderma reesei

scientific article published on 23 January 2011

Water structuring over the hydrophobic surface of cellulose

scientific article published on 11 November 2014

List of works by Udo Schnupf

27 ps DFT molecular dynamics simulation of alpha-maltose: A reduced basis set study.

Caffeine and sugars interact in aqueous solutions: a simulation and NMR study.

Comparison of the simulations of cellulosic crystals with three carbohydrate force fields.

DFT conformation and energies of amylose fragments at atomic resolution. Part 1: Syn forms of alpha-maltotetraose.

DFT conformation and energies of amylose fragments at atomic resolution. Part 2: 'Band-flip' and 'kink' forms of alpha-maltotetraose.

DFT conformational studies of alpha-maltotriose.

DFT energy optimization of a large carbohydrate: cyclomaltohexaicosaose (CA-26)

DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps

DFT study of alpha- and beta-D-allopyranose at the B3LYP/6-311++G ** level of theory

DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory.

DFTMD studies of β-cellobiose: conformational preference using implicit solvent

DFTr studies of five- and six-residue cyclic-β(1→4) cellulosic molecules

Experimental and theoretical investigation of the A 3pi-X 2sigma- transition of NH/D-Ne

Experimental and theoretical studies of the CN-Ar van der Waals complex

Free energy surfaces for the interaction of D-glucose with planar aromatic groups in aqueous solution

Male-specific sesquiterpenes from Phyllotreta flea beetles.

Molecular dynamics simulation studies of caffeine aggregation in aqueous solution

Spectroscopic and theoretical characterization of the A2delta-X2pi transition of CH-Ne

Spectroscopy, dissociation dynamics, and potential energy surfaces for CN(A)-Ar

Sugar-binding sites on the surface of the carbohydrate-binding module of CBH I from Trichoderma reesei

Water structuring over the hydrophobic surface of cellulose