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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.
; Solà 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.
; Solà 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.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
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1 juny 2018 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
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5 juny 2018 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
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4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
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15 juny 2015 |
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
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6 octubre 2023 |
Analysis of creep crack growth in adhesively bonded joints under mode I loading |
Meulman, Edwin
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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1 juny 2018 |
The Atomic orbitals of the topological atom |
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5 juny 2018 |
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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juny 2013 |
The Atomic orbitals of the topological atom |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
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1999 |
Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes |
Daza, Martha C.
; Dobado, J. A.
; Molina Molina, José
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Villaveces, José Luis
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Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes |
Daza, Martha C.
; Dobado, J. A.
; Molina Molina, José
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Villaveces, José Luis
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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, Célia
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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, Célia
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1 juny 2018 |
B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
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5 juny 2018 |
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, Célia
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14 juliol 2014 |
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, Célia
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3 desembre 2020 |
Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species |
Dantignana, Valeria
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14 abril 2018 |
Bond behavior of NSM FRP strips in concrete under sustained loading |
Emara, Mohamed Reda Ali Elewa
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