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ACS Omega
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August 29, 2019
Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution
Ka Hung Lee, Udo Schnupf, Bobby G Sumpter, et al.
Carbohydrate Research
|
December 30, 2008
DFT conformation and energies of amylose fragments at atomic resolution. Part 1: Syn forms of alpha-maltotetraose
Udo Schnupf, J L Willett, Wayne Bosma, et al.
The Journal of Chemical Physics
|
March 19, 2008
Experimental and theoretical studies of the CN-Ar van der Waals complex
Jiande Han, Michael C Heaven, Udo Schnupf, et al.
Carbohydrate Research
|
February 5, 2016
Comparison of the simulations of cellulosic crystals with three carbohydrate force fields
Hitomi Miyamoto, Udo Schnupf, Michael F Crowley, et al.
Carbohydrate Research
|
August 3, 2007
DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps
Udo Schnupf, J L Willett, Wayne B Bosma, et al.
The Journal of Chemical Physics
|
October 16, 2004
Bound state spectroscopy of NH-He
Galina Kerenskaya, Udo Schnupf, Michael C Heaven, et al.
Journal of Computational Chemistry
|
December 12, 2007
DFT conformational studies of alpha-maltotriose
Udo Schnupf, Julious L Willett, Wayne B Bosma, et al.
Carbohydrate Research
|
January 6, 2007
DFT study of alpha- and beta-D-allopyranose at the B3LYP/6-311++G ** level of theory
Udo Schnupf, J L Willett, Wayne B Bosma, et al.
Carbohydrate Research
|
January 18, 2006
DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory
Frank A Momany, Michael Appell, J L Willett, et al.
Chembiochem : a European Journal of Chemical Biology
|
May 9, 2019
Inter-residual Hydrogen Bonding in Carbohydrates Unraveled by NMR Spectroscopy and Molecular Dynamics Simulations
Jerk Rönnols, Olof Engström, Udo Schnupf, et al.
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of 3
Search research articles
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Showing results (11-20 of 28) with videos related to
Sort By:
Page
of 3
ACS Omega
|
August 29, 2019
Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution
Ka Hung Lee, Udo Schnupf, Bobby G Sumpter, et al.
Carbohydrate Research
|
December 30, 2008
DFT conformation and energies of amylose fragments at atomic resolution. Part 1: Syn forms of alpha-maltotetraose
Udo Schnupf, J L Willett, Wayne Bosma, et al.
The Journal of Chemical Physics
|
March 19, 2008
Experimental and theoretical studies of the CN-Ar van der Waals complex
Jiande Han, Michael C Heaven, Udo Schnupf, et al.
Carbohydrate Research
|
February 5, 2016
Comparison of the simulations of cellulosic crystals with three carbohydrate force fields
Hitomi Miyamoto, Udo Schnupf, Michael F Crowley, et al.
Carbohydrate Research
|
August 3, 2007
DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps
Udo Schnupf, J L Willett, Wayne B Bosma, et al.
The Journal of Chemical Physics
|
October 16, 2004
Bound state spectroscopy of NH-He
Galina Kerenskaya, Udo Schnupf, Michael C Heaven, et al.
Journal of Computational Chemistry
|
December 12, 2007
DFT conformational studies of alpha-maltotriose
Udo Schnupf, Julious L Willett, Wayne B Bosma, et al.
Carbohydrate Research
|
January 6, 2007
DFT study of alpha- and beta-D-allopyranose at the B3LYP/6-311++G ** level of theory
Udo Schnupf, J L Willett, Wayne B Bosma, et al.
Carbohydrate Research
|
January 18, 2006
DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory
Frank A Momany, Michael Appell, J L Willett, et al.
Chembiochem : a European Journal of Chemical Biology
|
May 9, 2019
Inter-residual Hydrogen Bonding in Carbohydrates Unraveled by NMR Spectroscopy and Molecular Dynamics Simulations
Jerk Rönnols, Olof Engström, Udo Schnupf, et al.
Page
of 3