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

由 Kubelka, Jan, Bickelhaupt, F. Matthias
發表在 J Phys Chem A (2017)

Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H(−)+CH(4) → CH(4)+H(−)

由 Swart, Marcel, Bickelhaupt, F. Matthias
發表在 Molecules (2013)

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

由 Wolters, Lando P, Bickelhaupt, F Matthias
出版 2013

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

由 Wolters, Lando P, Bickelhaupt, F Matthias
出版 2012

The activation strain model and molecular orbital theory

由 Wolters, Lando P, Bickelhaupt, F Matthias
發表在 Wiley Interdiscip Rev Comput Mol Sci (2015)

Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model

由 Bickelhaupt, F. Matthias, Houk, Kendall N.
發表在 Angew Chem Int Ed Engl (2017)

Arylic C–X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends

由 Vermeeren, Pascal, Sun, Xiaobo, Bickelhaupt, F. Matthias
發表在 Sci Rep (2018)

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

由 Barone, Giampaolo, Fonseca Guerra, Célia, Bickelhaupt, F Matthias
出版 2013

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

由 Wolters, Lando P, Ren, Yi, Bickelhaupt, F Matthias
出版 2014

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

由 Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
發表在 ChemistryOpen (2016)

Nucleophilic Substitution (S(N)2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent

由 Hamlin, Trevor A., Swart, Marcel, Bickelhaupt, F. Matthias
發表在 Chemphyschem (2018)

Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model

由 Dalla Tiezza, Marco, Bickelhaupt, F. Matthias, Orian, Laura
發表在 ChemistryOpen (2018)

Cover Feature: Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model (ChemistryOpen 2/2019)

由 Dalla Tiezza, Marco, Bickelhaupt, F. Matthias, Orian, Laura
發表在 ChemistryOpen (2019)

Special Collection: Computational Chemistry

由 Solà, Miquel, De Proft, Frank, Bickelhaupt, F. Matthias
發表在 ChemistryOpen (2019)

How Dihalogens Catalyze Michael Addition Reactions

由 Hamlin, Trevor A., Fernández, Israel, Bickelhaupt, F. Matthias
發表在 Angew Chem Int Ed Engl (2019)

Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table

由 Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
發表在 J Phys Chem A (2019)

Chemical reactivity from an activation strain perspective

由 Vermeeren, Pascal, Hamlin, Trevor A., Bickelhaupt, F. Matthias
發表在 Chem Commun (Camb) (2021)

How Alkali Cations Catalyze Aromatic Diels‐Alder Reactions

由 Vermeeren, Pascal, Brinkhuis, Francine, Hamlin, Trevor A., Bickelhaupt, F. Matthias
發表在 Chem Asian J (2020)

How Lewis Acids Catalyze Diels–Alder Reactions

由 Vermeeren, Pascal, Hamlin, Trevor A., Fernández, Israel, Bickelhaupt, F. Matthias
發表在 Angew Chem Int Ed Engl (2020)

How Oriented External Electric Fields Modulate Reactivity

由 Yu, Song, Vermeeren, Pascal, Hamlin, Trevor A., Bickelhaupt, F. Matthias
發表在 Chemistry (2021)