Activation Strain Analysis of S(N)2 Reactions at C, N, O, and F Centers

Por Kubelka, Jan, Bickelhaupt, F. Matthias
Publicado no J Phys Chem A (2017)

Nonlinear d(10)-ML(2) Transition-Metal Complexes

Por Wolters, Lando P, Bickelhaupt, F Matthias
Publicado em 2013

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

Por Wolters, Lando P, Bickelhaupt, F Matthias
Publicado em 2012

The activation strain model and molecular orbital theory

Por Wolters, Lando P, Bickelhaupt, F Matthias
Publicado no Wiley Interdiscip Rev Comput Mol Sci (2015)

B-DNA Structure and Stability as Function of Nucleic Acid Composition: Dispersion-Corrected DFT Study of Dinucleoside Monophosphate Single and Double Strands

Por Barone, Giampaolo, Fonseca Guerra, Célia, Bickelhaupt, F Matthias
Publicado em 2013

Understanding E2 versus S(N)2 Competition under Acidic and Basic Conditions

Por Wolters, Lando P, Ren, Yi, Bickelhaupt, F Matthias
Publicado em 2014

Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism

Por Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Publicado no ChemistryOpen (2016)

π-π stacking tackled with density functional theory

Por Swart, Marcel, van der Wijst, Tushar, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Publicado em 2007

Eight-coordinate fluoride in a silicate double-four-ring

Por Goesten, Maarten G., Hoffmann, Roald, Bickelhaupt, F. Matthias, Hensen, Emiel J. M.
Publicado no Proc Natl Acad Sci U S A (2017)

Differential stabilization of adenine quartets by anions and cations

Por van der Wijst, Tushar, Lippert, Bernhard, Swart, Marcel, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Publicado em 2009