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FormatDateTitleAuthor
out url icon Recercat Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gas-bearing aquifers Owen, D. Des R ; Pawlowsky-Glahn, Vera ; Egozcue, Juan José ; Buccianti, Antonella ; Bradd, J.M.
out url icon Recercat 2018 June 1 Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gas-bearing aquifers
out url icon Recercat 2018 June 5 Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gas-bearing aquifers Owen, D. Des R ; Pawlowsky-Glahn, Vera ; Egozcue, Juan José ; Buccianti, Antonella ; Bradd, J.M.
doc icon DUGiDocs 2016 August 5 Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gas-bearing aquifers Owen, D. Des R ; Pawlowsky-Glahn, Vera ; Egozcue, Juan José ; Buccianti, Antonella ; Bradd, J.M.
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 2015 September 29 A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts Poater Teixidor, Albert ; Cavallo, Luigi
doc icon DUGiDocs 2018 May 7 Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design Postils Ribó, Verònica
out url icon Recercat Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation Torres Antón, Òscar ; Roglans i Ribas, Anna ; Pla i Quintana, Anna ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
doc icon DUGiDocs Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation Torres Antón, Òscar ; Roglans i Ribas, Anna ; Pla i Quintana, Anna ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
media icon DUGiMedia 2010 July 6 Computationally efficient and accurate dispersion correction for density functional theory Grimme, Stefan
doc icon DUGiDocs 2020 January 14 Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals Roldán Gómez, Steven
media icon DUGiMedia 2010 July 6 Computational modeling of hole transfer in DNA-protein complexes Butchosa, Cristina
doc icon DUGiDocs 2021 March 26 Computational studies oriented towards the development of a greener chemistry Luque Urrutia, JesĂşs Antonio
doc icon DUGiDocs 2017 November 17 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
media icon DUGiMedia 2010 July 6 Conceptual density functional theory: the linear response function and third order derivatives Geerlings, Paul
media icon DUGiMedia 2010 July 6 Confining electrons with Hooke and Yukawa like potentials Ugalde, Jesus M.
out url icon Recercat Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations Ruiz-Barragán, Sergi ; Morokuma, Keiji ; Blancafort San José, Lluís
doc icon DUGiDocs Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations Ruiz-Barragán, Sergi ; Morokuma, Keiji ; Blancafort San José, Lluís
doc icon DUGiDocs 2000 July 14 Contribución al estudio de la extracción química del Fe3+ contaminante de la madera arqueológica subacuática impregnada con polietilenglicol Escoda i Acero, Ma. Lluïsa
doc icon DUGiDocs 2000 July 14 Contribución al estudio de la extracción química del Fe3+ contaminante de la madera arqueológica subacuática impregnada con polietilenglicol Escoda i Acero, Ma. Lluïsa
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