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Digital Discovery|February 17, 2023
Neural network potentials for chemistry: concepts, applications and prospectsSilvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, et al.
The Journal of Physical Chemistry. B|December 15, 2015
Inner-Shell Water Rearrangement Following Photoexcitation of Tris(2,2'-bipyridine)iron(II)Akshaya K Das, R V Solomon, Franziska Hofmann, et al.
The Journal of Chemical Physics|May 10, 2008
A constant entropy increase model for the selection of parallel tempering ensemblesDubravko Sabo, Markus Meuwly, David L Freeman, et al.
The Journal of Physical Chemistry. A|April 21, 2015
Infrared and Near-Infrared Spectroscopy of Acetylacetone and HexafluoroacetylacetoneDaryl L Howard, Henrik G Kjaergaard, Jing Huang, et al.
The Journal of Physical Chemistry. B|January 13, 2015
Vibrational relaxation and energy migration of N-methylacetamide in water: the role of nonbonded interactionsPierre-André Cazade, Florent Hédin, Zhen-Hao Xu, et al.
Physical Chemistry Chemical Physics : PCCP|November 16, 2013
Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulationsJing Huang, Marcin Buchowiecki, Tibor Nagy, et al.
Chimia|July 13, 2011
Computational spectroscopy and reaction dynamicsPierre-Andre Cazade, Stephan Lutz, Myung Won Lee, et al.
The Journal of Physical Chemistry. A|July 31, 2012
Harmonic bath averaged Hamiltonian: an efficient tool to capture quantum effects of large systemsYonggang Yang, Xiaomeng Liu, Markus Meuwly, et al.
The Journal of Physical Chemistry Letters|September 6, 2017
Molecular Mechanisms Underlying Solute Retention at Heterogeneous InterfacesKrystel El Hage, Prashant Kumar Gupta, Raymond Bemish, et al.
Precision Chemistry|November 28, 2025
Reaction Dynamics of the H + HeH+ → He + H2 + SystemMeenu Upadhyay, Silvan Käser, Jayakrushna Sahoo, et al.
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