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Mariona Sodupe

Showing results (11-20 of 82) with videos related to

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Journal of Computational Chemistry|December 19, 2008
Influence of ionization on the conformational preferences of peptide models. Ramachandran surfaces of N-formyl-glycine amide and N-formyl-alanine amide radical cationsAdrià Gil, Mariona Sodupe, Juan Bertran
Journal of the American Chemical Society|October 8, 2004
Triplet (pi,pi) reactivity of the guanine-cytosine DNA base pair: benign deactivation versus double tautomerization via intermolecular hydrogen transferLluís Blancafort, Joan Bertran, Mariona Sodupe
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 13, 2010
DFT mechanistic study on diene metathesis catalyzed by Ru-based Grubbs-Hoveyda-type carbenes: the key role of pi-electron density delocalization in the Hoveyda ligandXavier Solans-Monfort, Roser Pleixats, Mariona Sodupe
The Journal of Physical Chemistry. B|November 28, 2006
Cation-pi Interactions and oxidative effects on Cu+ and Cu2+ binding to Phe, Tyr, Trp, and His amino acids in the gas phase. Insights from first-principles calculationsAlbert Rimola, Luis Rodríguez-Santiago, Mariona Sodupe
Physical Chemistry Chemical Physics : PCCP|March 30, 2011
Computational calculations of pKa values of imidazole in Cu(II) complexes of biological relevanceJorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 14, 2018
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiOStefano Pantaleone, Piero Ugliengo, Mariona Sodupe, et al.
Inorganic Chemistry|February 26, 2024
Computational Study of Amyloidβ<sub>42</sub> Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical BehaviorsLorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
ACS Omega|April 3, 2023
Influence of Capping Ligands, Solvent, and Thermal Effects on CdSe Quantum Dot Optical Properties by DFT CalculationsDidac A Fenoll, Mariona Sodupe, Xavier Solans-Monfort
Physical Chemistry Chemical Physics : PCCP|December 8, 2022
On the stability of peptide secondary structures on the TiO<sub>2</sub> (101) anatase surface: a computational insightStefano Pantaleone, Mariona Sodupe, Piero Ugliengo, et al.
Physical Chemistry Chemical Physics : PCCP|May 25, 2012
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics studyFederico Musso, Pierre Mignon, Piero Ugliengo, et al.
Pageof 9

Showing results (11-20 of 82) with videos related to

Sort By:
Pageof 9
Journal of Computational Chemistry|December 19, 2008
Influence of ionization on the conformational preferences of peptide models. Ramachandran surfaces of N-formyl-glycine amide and N-formyl-alanine amide radical cationsAdrià Gil, Mariona Sodupe, Juan Bertran
Journal of the American Chemical Society|October 8, 2004
Triplet (pi,pi) reactivity of the guanine-cytosine DNA base pair: benign deactivation versus double tautomerization via intermolecular hydrogen transferLluís Blancafort, Joan Bertran, Mariona Sodupe
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 13, 2010
DFT mechanistic study on diene metathesis catalyzed by Ru-based Grubbs-Hoveyda-type carbenes: the key role of pi-electron density delocalization in the Hoveyda ligandXavier Solans-Monfort, Roser Pleixats, Mariona Sodupe
The Journal of Physical Chemistry. B|November 28, 2006
Cation-pi Interactions and oxidative effects on Cu+ and Cu2+ binding to Phe, Tyr, Trp, and His amino acids in the gas phase. Insights from first-principles calculationsAlbert Rimola, Luis Rodríguez-Santiago, Mariona Sodupe
Physical Chemistry Chemical Physics : PCCP|March 30, 2011
Computational calculations of pKa values of imidazole in Cu(II) complexes of biological relevanceJorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 14, 2018
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiOStefano Pantaleone, Piero Ugliengo, Mariona Sodupe, et al.
Inorganic Chemistry|February 26, 2024
Computational Study of Amyloidβ<sub>42</sub> Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical BehaviorsLorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
ACS Omega|April 3, 2023
Influence of Capping Ligands, Solvent, and Thermal Effects on CdSe Quantum Dot Optical Properties by DFT CalculationsDidac A Fenoll, Mariona Sodupe, Xavier Solans-Monfort
Physical Chemistry Chemical Physics : PCCP|December 8, 2022
On the stability of peptide secondary structures on the TiO<sub>2</sub> (101) anatase surface: a computational insightStefano Pantaleone, Mariona Sodupe, Piero Ugliengo, et al.
Physical Chemistry Chemical Physics : PCCP|May 25, 2012
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics studyFederico Musso, Pierre Mignon, Piero Ugliengo, et al.
Pageof 9