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