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2004 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, Friedrich Matthias
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Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
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Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
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2018 June 1 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
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2018 June 5 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
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2018 June |
Acoblament deshidrogenatiu d’alcohols i amines catalitzat per manganès per formar aldimines i H2 |
Masdemont Isern, Judit
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The activation mechanism of Fe-based olefin metathesis catalysts |
Poater Teixidor, Albert
; Pump, Eva
; Vummaleti, Sai Vikrama Chaitanya
; Cavallo, Luigi
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2014 August 28 |
The activation mechanism of Fe-based olefin metathesis catalysts |
Poater Teixidor, Albert
; Pump, Eva
; Vummaleti, Sai Vikrama Chaitanya
; Cavallo, Luigi
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All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not? |
Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Bickelhaupt, F. Matthias
; SolĂ i Puig, Miquel
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2011 |
All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not? |
Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Bickelhaupt, F. Matthias
; SolĂ i Puig, Miquel
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Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) |
El Hamdi Lahfid, Majid
; El Bakouri, Ouissam
; Salvador Sedano, Pedro
; Abdelouahid, Ben Ali
; El Begrani, Mohamed Soussi
; Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
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2013 September 9 |
Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) |
El Hamdi Lahfid, Majid
; El Bakouri, Ouissam
; Salvador Sedano, Pedro
; Abdelouahid, Ben Ali
; El Begrani, Mohamed Soussi
; Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
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2002 |
Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
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Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
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Aromaticity and Magnetic Properties of 1-and 2-Indenones and Their Aza Derivatives |
Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Alkorta, Ibon
; Elguero, Jose
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2014 |
Aromaticity and Magnetic Properties of 1-and 2-Indenones and Their Aza Derivatives |
Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Alkorta, Ibon
; Elguero, Jose
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Aryl-copper(III)-acetylides as key intermediates in Csp2-C sp model couplings under mild conditions |
Rovira Coll, Mireia
; Font Molins, Marc
; Acuña-Parés, Ferran
; Parella Coll, Teodor
; Luis Luis, Josep Maria
; Lloret Fillol, Julio
; Ribas Salamaña, Xavi
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2014 |
Aryl-copper(III)-acetylides as key intermediates in Csp2-C sp model couplings under mild conditions |
Rovira Coll, Mireia
; Font Molins, Marc
; Acuña-Parés, Ferran
; Parella Coll, Teodor
; Luis Luis, Josep Maria
; Lloret Fillol, Julio
; Ribas Salamaña, Xavi
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Bayes hilbert spaces |
Van den Boogaart, Karl Gerald
; Egozcue, Juan José
; Pawlowsky-Glahn, Vera
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2014 June |
Bayes hilbert spaces |
Boogaart, K. Gerald van den
; Egozcue, Juan José
; Pawlowsky-Glahn, Vera
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B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
Poater i Teixidor, Jordi
; Swart, Marcel
; Bickelhaupt, F. Matthias
; Fonseca Guerra, CĂ©lia
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B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
Poater i Teixidor, Jordi
; Swart, Marcel
; Bickelhaupt, F. Matthias
; Fonseca Guerra, CĂ©lia
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2018 June 1 |
B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
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2018 June 5 |
B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
Poater i Teixidor, Jordi
; Swart, Marcel
; Bickelhaupt, F. Matthias
; Fonseca Guerra, CĂ©lia
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2014 July 14 |
B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
Poater i Teixidor, Jordi
; Swart, Marcel
; Bickelhaupt, F. Matthias
; Fonseca Guerra, CĂ©lia
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