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Journal of Computational Chemistry|June 27, 2014
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force fieldMike Devereux, Nohad Gresh, Jean-Philip Piquemal, et al.
The Journal of Chemical Physics|August 2, 2024
SCN as a local probe of protein structural dynamicsSena Aydin, Seyedeh Maryam Salehi, Kai Töpfer, et al.
The Journal of Physical Chemistry. A|July 25, 2024
High-Energy Reaction Dynamics of N3JingChun Wang, Juan Carlos San Vicente Veliz, Markus Meuwly
The Journal of Physical Chemistry Letters|June 18, 2026
Toward Quantitative Reaction Dynamics of O3Raidel Martin Barrios, Abhirami Vijayakumar, Jingchun Wang, et al.
Journal of Computational Chemistry|October 25, 2013
Toward force fields for atomistic simulations of iridium-containing complexesFranziska D Hofmann, Michael Devereux, Andreas Pfaltz, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and BiomoleculesFlorent Hédin, Nuria Plattner, J D Doll, et al.
The Journal of Chemical Physics|March 10, 2015
Communication: Equilibrium rate coefficients from atomistic simulations: The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction at temperatures relevant to the hypersonic flight regimeJuan Carlos Castro-Palacio, Raymond J Bemish, Markus Meuwly
The Journal of Chemical Physics|July 10, 2020
Non-conventional force fields for applications in spectroscopy and chemical reaction dynamicsDebasish Koner, Seyedeh Maryam Salehi, Padmabati Mondal, et al.
Journal of Chemical Theory and Computation|May 10, 2016
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase SimulationsKrystel El Hage, Tristan Bereau, Sofie Jakobsen, et al.
Journal of the American Chemical Society|October 28, 2004
A combined experimental and computational study of dihydrido(phosphinooxazoline)iridium complexesClément Mazet, Sebastian P Smidt, Markus Meuwly, et al.
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