Listing items by Author "Bickelhaupt, Friedrich Matthias"
11 items found
Showing titles from 0 to 11:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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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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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, Friedrich Matthias
; Fonseca Guerra, Célia
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2013 |
Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H-+CH4 -> CH4+H- |
Swart, Marcel
; Bickelhaupt, Friedrich Matthias
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2006 |
Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Bickelhaupt, Friedrich Matthias
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2014 |
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, Friedrich Matthias
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2014 |
Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) |
Fernández, Israel
; Solà i Puig, Miquel
; Bickelhaupt, Friedrich Matthias
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2016 January 22 |
Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60 |
GarcÃa-Rodeja, Yago
; Solà i Puig, Miquel
; Bickelhaupt, Friedrich Matthias
; Fernández, Israel
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2012 |
Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs |
Poater i Teixidor, Jordi
; Swart, Marcel
; Fonseca Guerra, Célia
; Bickelhaupt, Friedrich Matthias
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2015 April 7 |
Understanding the reactivity of endohedral metallofullerenes: C78 versus Sc3N@C78 |
Bickelhaupt, Friedrich Matthias
; Fernández, Israel
; Solà i Puig, Miquel
; Fenández López, Israel
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2013 |
Why do cycloaddition reactions involving C60 prefer [6,6] over [5,6] bonds? |
Fenández López, Israel
; Solà i Puig, Miquel
; Bickelhaupt, Friedrich Matthias
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2013 March 4 |
X2Y2 isomers: Tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te) |
El Hamdi Lahfid, Majid
; Poater i Teixidor, Jordi
; Bickelhaupt, Friedrich Matthias
; Solà i Puig, Miquel
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