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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 25, 2008
Experimental and theoretical study of helium broadening and shift of HCO+ rotational linesGiovanni Buffa, Luca Dore, Francesca Tinti, et al.Journal of Chemical Theory and Computation|September 4, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular SimulationsEric Boittier, Kai Töpfer, Mike Devereux, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Calculation of intersubstituent similarity using R-group descriptorsJohn D Holliday, Stephen P Jelfs, Peter Willett, et al.The Journal of Physical Chemistry. B|August 28, 2015
The Reaction Mechanism of Bovine Lens Leucine AminopeptidaseGudrun Schürer, Anselm H C Horn, Peter Gedeck, et al.Biophysical Chemistry|July 20, 2002
NO rebinding to myoglobin: a reactive molecular dynamics studyMarkus Meuwly, Oren M Becker, Roland Stote, et al.Journal of Chemical Theory and Computation|May 7, 2021
Transfer Learning to CCSD(T): Accurate Anharmonic Frequencies from Machine Learning ModelsSilvan Käser, Eric D Boittier, Meenu Upadhyay, et al.Chemical Science|November 25, 2022
Uncertainty quantification for predictions of atomistic neural networksLuis Itza Vazquez-Salazar, Eric D Boittier, Markus MeuwlyThe Journal of Biological Chemistry|May 3, 2011
Water-assisted proton transfer in ferredoxin IStephan Lutz, Ivan Tubert-Brohman, Yonggang Yang, et al.Chimia|June 1, 2026
High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum DynamicsValerii Andreichev, Jindra Dušek, Markus Meuwly, et al.The Journal of Chemical Physics|September 16, 2019
Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotationsUxía Rivero, Oliver T Unke, Markus Meuwly, et al.Pageof 34