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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.Journal of Chemical Theory and Computation|March 1, 2018
Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes, and ReactionsMaurus H Schmid, Akshaya Kumar Das, Clark R Landis, et al.Structural Dynamics (Melville, N.Y.)|January 9, 2018
Perspective: THz-driven nuclear dynamics from solids to moleculesPeter Hamm, Markus Meuwly, Steve L Johnson, et al.The Journal of Chemical Physics|August 18, 2025
High-energy reaction dynamics of O3Jingchun Wang, Juan Carlos San Vicente Veliz, Meenu Upadhyay, et al.The Journal of Chemical Physics|April 15, 2023
Molecular-level understanding of the rovibrational spectra of N2O in gaseous, supercritical, and liquid SF6 and XeKai Töpfer, Debasish Koner, Shyamsunder Erramilli, et al.The Journal of Chemical Physics|August 6, 2020
N3 +: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamicsDebasish Koner, Max Schwilk, Sarbani Patra, et al.The Journal of Chemical Physics|November 3, 2014
Computational study of collisions between O(3P) and NO(2Π) at temperatures relevant to the hypersonic flight regimeJuan Carlos Castro-Palacio, Tibor Nagy, Raymond J Bemish, et al.Pageof 26