|
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
|
|
|
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
|
|
|
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
|
|
2018 June 1 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
|
|
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
|
|
2011 February 4 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
|
|
2011 February 4 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
|
|
|
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
|
|
|
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
|
|
2015 June 15 |
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
|
|
2023 October 6 |
Analysis of creep crack growth in adhesively bonded joints under mode I loading |
Meulman, Edwin
|
|
|
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
|
|
|
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
|
|
2018 June 1 |
The Atomic orbitals of the topological atom |
|
|
2018 June 5 |
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
|
|
2013 June |
The Atomic orbitals of the topological atom |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
|
|
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
|
|
|
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
|
|
|
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
|
|
|
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
|
|
2018 June 1 |
B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation |
|
|
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
|
|
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
|
|
2020 December 3 |
Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species |
Dantignana, Valeria
|
|
2018 April 14 |
Bond behavior of NSM FRP strips in concrete under sustained loading |
Emara, Mohamed Reda Ali Elewa
|