Showing results (71-80 of 145) with videos related to
Sort By:
Pageof 15
Journal of Chemical Theory and Computation|June 25, 2026
A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen BondingLong H Nguyen, Thom H Dunning, Sotiris S XantheasSensors (Basel, Switzerland)|February 10, 2012
Structures and encapsulation motifs of functional molecules probed by laser spectroscopic and theoretical methodsRyoji Kusaka, Yoshiya Inokuchi, Sotiris S Xantheas, et al.The Journal of Chemical Physics|December 5, 2012
Second-order many-body perturbation study of ice IhXiao He, Olaseni Sode, Sotiris S Xantheas, et al.The Journal of Chemical Physics|July 15, 2022
A classical model for three-body interactions in aqueous ionic systemsKristina M Herman, Anthony J Stone, Sotiris S XantheasJournal of Chemical Theory and Computation|September 13, 2023
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction ModelKristina M Herman, Anthony J Stone, Sotiris S XantheasThe Journal of Physical Chemistry. B|September 23, 2016
Mesoscale Polymer Dissolution Probed by Raman Spectroscopy and Molecular SimulationsTsun-Mei Chang, Sotiris S Xantheas, Andreas E VasdekisThe Journal of Physical Chemistry. A|February 13, 2008
On the determination of monomer dissociation energies of small water clusters from photoionization experimentsShawn M Kathmann, Gregory K Schenter, Sotiris S XantheasThe Journal of Chemical Physics|October 15, 2022
Vibrational levels of a generalized Morse potentialSaad Qadeer, Garrett D Santis, Panos Stinis, et al.The Journal of Physical Chemistry. B|April 5, 2023
Helical Organic and Inorganic PolymersSo Hirata, Yasuteru Shigeta, Sotiris S Xantheas, et al.Faraday Discussions|May 23, 2019
Probing the selectivity of Li+ and Na+ cations on noradrenaline at the molecular levelShun-Ichi Ishiuchi, Hiromichi Wako, Sotiris S Xantheas, et al.Pageof 15