DFTMD studies of glucose and epimers: anomeric ratios, rotamer populations, and hydration energies von Schnupf, U., Willett, J.L., Momany, F.

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Rapidly calculated DFT relaxed iso-potential ϕ/ψ maps: β-cellobiose von Schnupf, U., Momany, F. A.

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DFTMD studies of β-cellobiose: conformational preference using implicit solvent von Momany, F.A., Schnupf, U.

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Caffeine and Sugars Interact in Aqueous Solutions: A Simulation and NMR Study von Tavagnacco, Letizia, Engström, Olof, Schnupf, Udo, Saboungi, Marie-Louise, Himmel, Michael, Widmalm, Göran, Cesàro, Attilio, Brady, John W

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Sugar-binding sites on the surface of the carbohydrate-binding module of CBH I from Trichoderma reesei von Tavagnacco, Letizia, Mason, Philip E., Schnupf, Udo, Pitici, Felicia, Zhong, Linghao, Himmel, Michael E., Crowley, Michael, Cesàro, Attilio, Brady, John W.

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Weakly hydrated surfaces and the binding interactions of small biological solutes von Brady, John W., Tavagnacco, Letizia, Ehrlich, Laurent, Chen, Mo, Schnupf, Udo, Himmel, Michael E., Saboungi, Marie-Louise, Cesàro, Attilio

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DFT study of α- and β- d-galactopyranose at the B3LYP/6-311++G level of theory von Momany, Frank A., Appell, Michael, Willett, J.L., Schnupf, Udo, Bosma, Wayne B.

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The S-matrix version of the Hulthén-Kohn variational principle for quantum scattering: comparison between conventional and finite element basis sets von Jacquet, R., Schnupf, U.

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Bound state spectroscopy of NH-He von Kerenskaya, Galina, Schnupf, Udo, Heaven, Michael C, van der Avoird, Ad

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Vibrational calculations and potential determination for ArOH ( v=0, 1) and ArOD ( v=0, 1) von Schnupf, Udo, Bowman, Joel M., Heaven, Michael C.

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Electronic spectroscopy and dynamics of the CH/D–Ne Van der Waals complex von Basinger, William H., Schnupf, Udo, Heaven, Michael C.

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