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544 items found

Showing titles from 75 to 100:

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2013 Catalytic role of nickel in the decarbonylative addition of phthalimides to alkynes Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Cavallo, Luigi
out url icon Recercat Characterization and Reactivity Studies of a Terminal Copper-Nitrene Species Corona Prieto, Teresa ; Ribas, L铆dia ; Rovira Coll, Mireia ; Farquhar, Erik R. ; Ribas Salama帽a, Xavi ; Ray, Kallol ; Company Casadevall, Anna
doc icon DUGiDocs Characterization and Reactivity Studies of a Terminal Copper-Nitrene Species Corona Prieto, Teresa ; Ribas, L铆dia ; Rovira Coll, Mireia ; Farquhar, Erik R. ; Ribas Salama帽a, Xavi ; Ray, Kallol ; Company Casadevall, Anna
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 Llin脿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 Llin脿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 Llin脿s, Xavier
out url icon Recercat 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 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.
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 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 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 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
doc icon DUGiDocs 2016 October 6 Clinical decision support for screening, diagnosis and assessment of respiratory diseases: chronic obstructive pulmonary disease as a use case Velickovski, Filip
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
out url icon Recercat Comparing methods for dimensionality reduction when data are density functions Delicado, Pedro
doc icon DUGiDocs 2008 May 30 Comparing methods for dimensionality reduction when data are density functions Delicado, Pedro
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 2014 Comparing Ru and Fe-catalyzed olefin metathesis Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Pump, Eva ; Cavallo, Luigi
out url icon Recercat A comparison of the alr and ilr transformations for kernel density estimation of compositional data Chac贸n, J.E. ; Mart铆n Fern谩ndez, Josep Antoni ; Mateu i Figueras, Gl貌ria
doc icon DUGiDocs 2008 May 29 A comparison of the alr and ilr transformations for kernel density estimation of compositional data Chac贸n, J.E. ; Mart铆n Fern谩ndez, Josep Antoni ; Mateu i Figueras, Gl貌ria
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
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