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(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartĂnez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
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(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartĂnez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
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2018 June 5 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartĂnez LĂłpez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
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2020 February 15 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartĂnez LĂłpez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
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2016 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartĂnez LĂłpez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
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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 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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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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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 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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Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, F. Matthias
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Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, F. Matthias
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2018 June 5 |
Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, F. Matthias
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2020 February 15 |
Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, F. Matthias
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2013 |
Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, F. Matthias
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Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment |
Fonville, Judith M.
; Swart, Marcel
; Vokáčová, Zuzana
; SychrovskĂ˝, VladimĂr
; Ĺ poner, Judit E.
; Ĺ poner, JiĹ™Ă
; Hilbers, Cornelis W.
; Bickelhaupt, F. Matthias
; Wijmenga, Sybren S.
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2012 September 24 |
Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment |
Fonville, Judith M.
; Swart, Marcel
; Vokáčová, Zuzana
; SychrovskĂ˝, VladimĂr
; Ĺ poner, Judit E.
; Ĺ poner, JiĹ™Ă
; Hilbers, Cornelis W.
; Bickelhaupt, F. Matthias
; Wijmenga, Sybren S.
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Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂticos de enlace |
Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Bickelhaupt, F. Matthias
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Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂticos de enlace |
Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Bickelhaupt, F. Matthias
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2018 June 5 |
Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂticos de enlace |
Poater i Teixidor, Jordi
; SolĂ i Puig, Miquel
; Bickelhaupt, F. Matthias
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Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, F. Matthias
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