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S'han trobat 779 ítems

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	5 juny 2016	Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting	El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
		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.
		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.
	1 juny 2018	Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gas-bearing aquifers
	5 juny 2018	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.
	5 agost 2016	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.
		A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts	Poater Teixidor, Albert ; Cavallo, Luigi
		A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts	Poater Teixidor, Albert ; Cavallo, Luigi
	1 juny 2018	A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts
	5 juny 2018	A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts	Poater Teixidor, Albert ; Cavallo, Luigi
	29 setembre 2015	A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts	Poater Teixidor, Albert ; Cavallo, Luigi
	7 maig 2018	Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design	Postils Ribó, Verònica
		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
	1 octubre 2014	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
	6 juliol 2010	Computationally efficient and accurate dispersion correction for density functional theory	Grimme, Stefan
	14 gener 2020	Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals	Roldán Gómez, Steven
	6 juliol 2010	Computational modeling of hole transfer in DNA-protein complexes	Butchosa, Cristina
	26 març 2021	Computational studies oriented towards the development of a greener chemistry	Luque Urrutia, Jesús Antonio
	17 novembre 2017	Computational study of nuclear magnetic shielding constants	Castro Aguilera, Abril Carolina
	6 juliol 2010	Conceptual density functional theory: the linear response function and third order derivatives	Geerlings, Paul
	6 juliol 2010	Confining electrons with Hooke and Yukawa like potentials	Ugalde, Jesus M.
		Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps	Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
	2013	Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps	Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
		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
	14 abril 2015	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

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