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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2012 September 24 Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment Fonville, Judith M. ; Swart, Marcel ; Vok谩膷ov谩, Zuzana ; Sychrovsk媒, Vladim铆r ; 艩poner, Judit E. ; 艩poner, Ji艡铆 ; Hilbers, Cornelis W. ; Bickelhaupt, F. Matthias ; Wijmenga, Sybren S.
doc icon DUGiDocs 2000 C-H路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat C-H路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
doc icon DUGiDocs 2014 January 1 Cis/trans Coordination in olefin metathesis by static and molecular dynamic DFT calculations Poater Teixidor, Albert ; Correa, Andrea ; Pump, Eva ; Cavallo, Luigi
out url icon Recercat Cis/trans Coordination in olefin metathesis by static and molecular dynamic DFT calculations Poater Teixidor, Albert ; Correa, Andrea ; Pump, Eva ; Cavallo, Luigi
doc icon DUGiDocs 2017 July Clean and selective catalytic C-H alkylation of alkenes with environmental friendly alcohols Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Polo Ortiz, Alfonso ; Cavallo, Luigi
out url icon Recercat Clean and selective catalytic C-H alkylation of alkenes with environmental friendly alcohols Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Polo Ortiz, Alfonso ; Cavallo, Luigi
doc icon DUGiDocs 1996 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat 2020 February 15 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
doc icon DUGiDocs 2014 Comparing Ru and Fe-catalyzed olefin metathesis Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Pump, Eva ; Cavallo, Luigi
out url icon Recercat Comparing Ru and Fe-catalyzed olefin metathesis Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Pump, Eva ; Cavallo, Luigi
doc icon DUGiDocs 2013 August 22 Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding El Hamdi Lahfid, Majid ; Sol脿 i Puig, Miquel ; Frenking, Gernot ; Poater i Teixidor, Jordi
out url icon Recercat Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding El Hamdi Lahfid, Majid ; Sol脿 i Puig, Miquel ; Frenking, Gernot ; Poater i Teixidor, Jordi
out url icon Recercat A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes Garcia Borr脿s, Marc ; Osuna Oliveras, S铆lvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Sol脿 i Puig, Miquel
doc icon DUGiDocs 2013 October 25 A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes Garcia Borr脿s, Marc ; Osuna Oliveras, S铆lvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Sol脿 i Puig, Miquel
doc icon DUGiDocs 2015 September 29 A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat 2018 June 1 A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts
out url icon Recercat 2018 June 5 A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts Poater Teixidor, Albert ; Cavallo, Luigi
doc icon DUGiDocs 2014 October 1 Computational insight into Wilkinson鈥檚 complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation Torres Ant贸n, 脪scar ; Roglans i Ribas, Anna ; Pla i Quintana, Anna ; Luis Luis, Josep Maria ; Sol脿 i Puig, Miquel
out url icon Recercat Computational insight into Wilkinson鈥檚 complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation Torres Ant贸n, 脪scar ; Roglans i Ribas, Anna ; Pla i Quintana, Anna ; Luis Luis, Josep Maria ; Sol脿 i Puig, Miquel
out url icon Recercat 2018 June 1 A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson鈥檚 Catalyst
out url icon Recercat 2018 June 5 A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson鈥檚 Catalyst Artigas Ruf, Albert ; Lled贸 Ponsati, Agust铆 ; Pla i Quintana, Anna ; Roglans i Ribas, Anna ; Sol脿 i Puig, Miquel
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