Search Results - "Uvdal, P."

New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p) by Andersson, M. P, Uvdal, P

“…We have calculated optimal frequency scaling factors for the B3LYP/ 6-311+G(d,p) method for fundamental vibrational frequencies on the basis of a set of 125…”
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Pre-plaque conformational changes in Alzheimer’s disease-linked Aβ and APP by Klementieva, O., Willén, K., Martinsson, I., Israelsson, B., Engdahl, A., Cladera, J., Uvdal, P., Gouras, G. K.

“…Reducing levels of the aggregation-prone Aβ peptide that accumulates in the brain with Alzheimer’s disease (AD) has been a major target of experimental…”
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Water Tetramer, Pentamer, and Hexamer in Inert Matrices by Ceponkus, J, Uvdal, P, Nelander, B

“…The infrared spectrum of water, isolated in inert matrices, has been studied in the interval from 60 to 4000 cm–1. Experiments with partially deuterated water…”
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Mixed Dissociative and Molecular Water Adsorption on Anatase TiO2(101) by Walle, L. E, Borg, A, Johansson, E. M. J, Plogmaker, S, Rensmo, H, Uvdal, P, Sandell, A

“…The adsorption properties of water on the stoichiometric (101) surface of anatase TiO2 in the temperature range 160–400 K has been studied by synchrotron…”
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Far-Infrared Investigation of the Benzene–Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways by Andersen, J, Larsen, R. Wugt, Ceponkus, J, Uvdal, P, Nelander, B

“…The far-infrared spectrum of the weakly OH···π hydrogen-bonded benzene–water complex has been studied in neon and argon matrices, below 30 K. The in-plane…”
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Structure and dynamics of small water clusters, trapped in inert matrices by Ceponkus, J., Engdahl, A., Uvdal, P., Nelander, B.

“…•Matrix spectra may be used to estimate gas phase data.•Far infrared band strengths of water dimer bands have been estimated.•Acceptor switching of the matrix…”
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Water Dissociation on Single Crystalline Anatase TiO2(001) Studied by Photoelectron Spectroscopy by Blomquist, J, Walle, L. E, Uvdal, P, Borg, A, Sandell, A

“…The adsorption of water on the anatase TiO2(001)-(4 × 1) surface is studied using synchrotron radiation-excited core level photoelectron spectroscopy. The…”
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Defect-Induced Water Bilayer Growth on Anatase TiO 2 (101) by Schaefer, A, Lanzilotto, V, Cappel, U B, Uvdal, P, Borg, A, Sandell, A

“…Preparing an anatase TiO (101) surface with a high density of oxygen vacancies and associated reduced Ti species in the near-surface region results in drastic…”
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On the structure of the matrix isolated water trimer by Ceponkus, J, Uvdal, P, Nelander, B

“…Infrared spectra of partially deuterated water trimers have been investigated. It is found that HDO(H(2)O)(2) has a single, bound OD stretching fundamental,…”
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Competing water dissociation channels on rutile TiO2(110) by Walle, L.E., Ragazzon, D., Borg, A., Uvdal, P., Sandell, A.

“…The interplay between two different water dissociation channels on rutile TiO2(110) was studied with the use of synchrotron radiation photoelectron…”
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Defect-Induced Water Bilayer Growth on Anatase TiO2(101) by Schaefer, A, Lanzilotto, V, Cappel, U. B, Uvdal, P, Borg, A, Sandell, A

“…Preparing an anatase TiO2(101) surface with a high density of oxygen vacancies and associated reduced Ti species in the near-surface region results in drastic…”
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A Molecular Mechanism for the Water–Hydroxyl Balance during Wetting of TiO2 by Amft, M, Walle, L. E, Ragazzon, D, Borg, A, Uvdal, P, Skorodumova, N. V, Sandell, A

“…We show that the formation of the wetting layer and the experimentally observed continuous shift of the H2O–OH balance toward molecular water at increasing…”
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1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces by Temprano, I, Thomas, G, Haq, S, Dyer, M S, Latter, E G, Darling, G R, Uvdal, P, Raval, R

“…Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption…”
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Observations of Host Guest Interactions Specific to Molecular Matrices: Water Monomers and Dimers in Hydrogen Matrices by Ceponkus, J, Uvdal, P, Nelander, B

“…Water monomers and dimers have been studied at low temperatures in matrices of solid p-H2, o-D2, n-H2, and n-D2 using infrared spectroscopy. Our data…”
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Complex Formation of Small Molecules during Isolation in Low Temperature Matrices: Water Dimers in p-H2 and Ne Matrices by Ceponkus, J, Uvdal, P, Nelander, B

“…The concentrations of water dimer are compared in Ne and p-H2 matrices at low temperatures, using infrared spectroscopy. Additional data are given for o-D2 and…”
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Rotation of Water in Solid Parahydrogen and Orthodeuterium by Ceponkus, J, Uvdal, P, Nelander, B

“…The far-infrared spectra of solid orthodeuterium and solid normal deuterium are presented and compared to the corresponding spectra of solid parahydrogen and…”
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Inducing H/D exchange in ultrathin ice films by proton deficiency by Blomquist, J, Andersson, M P, Uvdal, P

“…We show that H/D exchange between H(2)O and D(2)O in ultrathin ice films adsorbed on Cu(100) does not occur through autoionization at temperatures below 140 K…”
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Chemical vapor deposition of ordered TiOx nanostructures on Au(111) by Ragazzon, D., Schaefer, A., Farstad, M.H., Walle, L.E., Palmgren, P., Borg, A., Uvdal, P., Sandell, A.

“…The deposition of TiOx (x≤2) structures on Au(111) by chemical vapor deposition (CVD) in ultrahigh vacuum (UHV) has been investigated with high-resolution core…”
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Probing the conduction band edge of transition metal oxides by X-ray absorption spectroscopy by Sandell, A., Sanyal, B., Walle, L.E., Uvdal, P., Borg, A.

“…We present a comprehensive picture of how X-ray absorption spectroscopy (XAS) at the O 1s edge, supported by ab initio calculations, can be used to address the…”
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TiO2 chemical vapor deposition on Si(111) in ultrahigh vacuum: Transition from interfacial phase to crystalline phase in the reaction limited regime by Karlsson, P.G., Richter, J.H., Andersson, M.P., Johansson, M.K.-J., Blomquist, J., Uvdal, P., Sandell, A.

“…The interaction between the metal organic precursor molecule titanium(IV) isopropoxide (TTIP) and three different surfaces has been studied: Si(111)-(7×7),…”
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