The Importance of Electrostatics and Polarization for Noncovalent Interactions: Ionic Hydrogen Bonds vs Ionic Halogen Bonds

por Brinck, Tore, Borrfors, André Nyberg
Publicado 2022

Mechanism and regioselectivity of electrophilic aromatic nitration in solution: the validity of the transition state approach

por Liljenberg, Magnus, Stenlid, Joakim Halldin, Brinck, Tore
Publicado 2017

Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides

por Liljenberg, Magnus, Brinck, Tore, Rein, Tobias, Svensson, Mats
Publicado 2013

Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies

por Jorner, Kjell, Brinck, Tore, Norrby, Per-Ola, Buttar, David
Publicado 2020

MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site

por Gustafsson, Camilla, Vassiliev, Serguei, Kürten, Charlotte, Syrén, Per-Olof, Brinck, Tore
Publicado 2017