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media icon DUGiMedia 23 setembre 2010 Altres combustibles: l’hidrogen González García-Conde, Antonio
out url icon Recercat Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
doc icon DUGiDocs 15 juny 2015 Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
out url icon Recercat Assessment of biotic and abiotic graphite cathodes for hydrogen production in microbial electrolysis cells Batlle Vilanova, Pau ; Puig Broch, Sebastià ; González Olmos, Rafael ; Vilajeliu Pons, Anna ; Bañeras Vives, Lluís ; Balaguer i Condom, Maria Dolors ; Colprim Galceran, Jesús
doc icon DUGiDocs 16 gener 2014 Assessment of biotic and abiotic graphite cathodes for hydrogen production in microbial electrolysis cells Batlle Vilanova, Pau ; Puig Broch, Sebastià ; González Olmos, Rafael ; Vilajeliu Pons, Anna ; Bañeras Vives, Lluís ; Balaguer i Condom, Maria Dolors ; Colprim Galceran, Jesús
doc icon DUGiDocs 1999 Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
out url icon Recercat Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
out url icon Recercat B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
out url icon Recercat B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
out url icon Recercat 1 juny 2018 B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation
out url icon Recercat 5 juny 2018 B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
doc icon DUGiDocs 14 juliol 2014 B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
out url icon DUGiDocs 30 juliol 2024 Bio-inspired manganese-catalyzed asymmetric C-H oxidation: chiral pool expansion and predictive data analysis Palone, Andrea
doc icon DUGiDocs 14 juny 2013 Bioinspired non-heme iron catalysts for challenging oxidative transformations: mechanistic studies and catalytic applications on selective alkane hydroxylation and alkene cis-dihydroxilation Prat Casellas, Irene
out url icon Recercat Bioinspired non-heme iron catalysts for challenging oxidative transformations: mechanistic studies and catalytic applications on selective alkane hydroxylation and alkene cis-dihydroxilation Prat Casellas, Irene
doc icon DUGiDocs 31 maig 2023 Characterization of a filament wound thin-ply composite for a cryogenic tank for liquid hydrogen Olsson, Robin ; Marklund, E. ; Merzkirch, M. ; Ramantani, D.
out url icon Recercat A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
doc icon DUGiDocs 2002 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
out url icon Recercat 15 febrer 2020 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
doc icon DUGiDocs 2000 C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
doc icon DUGiDocs 2005 Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
out url icon Recercat Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
doc icon DUGiDocs 29 juliol 2014 Development of highly structured non-heme iron catalysts for selective C-H group oxidations Canta i Roldós, Mercè
out url icon Recercat Development of highly structured non-heme iron catalysts for selective C-H group oxidations Canta i Roldós, Mercè
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