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101 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
media icon DUGiMedia 2010 September 23 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 2015 June 15 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 2014 January 16 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 2018 June 1 B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation
out url icon Recercat 2018 June 5 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 2014 July 14 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 Bifunctional (cyclopentadienone)iron-tricarbonyl complexes: Synthesis, computational studies and application in reductive amination Moulin, Solenne ; Dentel, Hélène ; Pagnoux-Ozherelyeva, Anastassiya ; Gaillard, Sylvain ; Poater Teixidor, Albert ; Cavallo, Luigi ; Lohier, Jean François ; Renaud, Jean Luc
doc icon DUGiDocs 2013 December 23 Bifunctional (cyclopentadienone)iron-tricarbonyl complexes: Synthesis, computational studies and application in reductive amination Moulin, Solenne ; Dentel, Hélène ; Pagnoux-Ozherelyeva, Anastassiya ; Gaillard, Sylvain ; Poater Teixidor, Albert ; Cavallo, Luigi ; Lohier, Jean François ; Renaud, Jean Luc
doc icon DUGiDocs 2023 July Catàlisi predictiva per millorar la semihidrogenació López Vilchez, Àlex
doc icon DUGiDocs 2018 June Catalitzadors Knölker de ferro per hidrogenació Viñas Panella, Eduard
doc icon DUGiDocs 2023 May 31 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 LlinĂ s, 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 LlinĂ s, Xavier
out url icon Recercat 2020 February 15 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 LlinĂ s, 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 2014 July 29 Development of highly structured non-heme iron catalysts for selective C-H group oxidations Canta i Roldós, Mercè
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