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Physical Chemistry Chemical Physics : PCCP|April 5, 2023
Improved modeling of anharmonicity for furan microsolvationWassja A Kopp, Matthias L Mödden, Narasimhan Viswanathan, et al.Journal of Chemical Theory and Computation|August 20, 2024
Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor CorrectionsMaximilian Fleck, Wassja A Kopp, Narasimhan Viswanathan, et al.Physical Chemistry Chemical Physics : PCCP|August 23, 2023
The first HyDRA challenge for computational vibrational spectroscopyTaija L Fischer, Margarethe Bödecker, Sophie M Schweer, et al.Pageof 1