Search Results - "Triguero, Luciano"

Direct Experimental Measurement of Donation/Back-Donation in Unsaturated Hydrocarbon Bonding to Metals by Triguero, Luciano, Föhlisch, Alexander, Väterlein, Peter, Hasselström, Jorgen, Weinelt, Martin, Pettersson, Lars G. M, Luo, Yi, Ågren, Hans, Nilsson, Anders

“…Using resonant and off-resonant X-ray emission spectroscopy, in combination with ground-state density functional calculations, we examine the electronic…”
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MO and DFT approaches to the calculation of X-ray absorption/emission spectra of nitrogen atom adsorbed on Cu(100) by Triguero, Luciano, Pettersson, Lars G.M.

“…X-ray emission/absorption spectra are calculated for nitrogen chemisorbed on cluster models (up to Cu61) of the four-fold hollow site in the Cu(100) surface…”
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Comparative Molecular Dynamics Studies of Wild-Type and Oxidized Forms of Full-Length Alzheimer Amyloid β-Peptides Aβ(1−40) and Aβ(1−42) by Triguero, Luciano, Singh, Rajiv, Prabhakar, Rajeev

“…In this study, all-atom 50 ns molecular dynamics simulations are performed on the full-length amyloid beta (Aβ) monomers (WT-Aβ(1−40) and WT-Aβ(1−42)) and…”
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Molecular Dynamics Study To Investigate the Effect of Chemical Substitutions of Methionine 35 on the Secondary Structure of the Amyloid β (Aβ(1−42)) Monomer in Aqueous Solution by Triguero, Luciano, Singh, Rajiv, Prabhakar, Rajeev

“…In this study, all-atom molecular dynamics simulations in the explicit water solvent are performed to investigate conformational changes in the secondary…”
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Comparative molecular dynamics studies of wild-type and oxidized forms of full-length Alzheimer amyloid beta-peptides Abeta(1-40) and Abeta(1-42) by Triguero, Luciano, Singh, Rajiv, Prabhakar, Rajeev

“…In this study, all-atom 50 ns molecular dynamics simulations are performed on the full-length amyloid beta (Abeta) monomers (WT-Abeta(1-40) and WT-Abeta(1-42))…”
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Molecular Dynamics Study To Investigate the Effect of Chemical Substitutions of Methionine 35 on the Secondary Structure of the Amyloid beta2 (Abeta2(1-42)) Monomer in Aqueous Solution by Triguero, Luciano, Singh, Rajiv, Prabhakar, Rajeev

“…In this study, all-atom molecular dynamics simulations in the explicit water solvent are performed to investigate conformational changes in the secondary…”
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Geometric structure and chemical bonding of acetylene adsorbed on Cu(1 1 0) by Öström, H., Nordlund, D., Ogasawara, H., Weiss, K., Triguero, L., Pettersson, L.G.M., Nilsson, A.

“…The chemical bonding and geometric structure of acetylene adsorbed on Cu(1 1 0) is analyzed using X-ray photoelectron spectroscopy (XPS), X-ray absorption…”
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Calculations of hydrogen chemisorption energies on optimized copper clusters by Triguero, Luciano, Wahlgren, Ulf, Boussard, Per, Siegbahn, Per

“…Hydrogen chemisorption on geometry optimized copper clusters with up to nine copper atoms has been studied using both all-electron and one-electron effective…”
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DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models by Triguero, Luciano, Wahlgren, Ulf, Pettersson, Lars G. M., Siegbahn, Per

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