Showing results (51-60 of 145) with videos related to
Sort By:
Pageof 15
The Journal of Chemical Physics|February 15, 2013
Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and iceSho Imoto, Sotiris S Xantheas, Shinji SaitoJournal of Chemical Theory and Computation|September 21, 2021
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4], q = -2, -1, +2, +3Demeter Tzeli, Simone Raugei, Sotiris S XantheasThe Journal of Chemical Physics|August 2, 2013
Ultrafast dynamics of liquid water: frequency fluctuations of the OH stretch and the HOH bendSho Imoto, Sotiris S Xantheas, Shinji SaitoThe Journal of Chemical Physics|September 28, 2013
Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theoryEvangelos Miliordos, Edoardo Aprà, Sotiris S XantheasThe Journal of Physical Chemistry. B|June 5, 2015
Ultrafast Dynamics of Liquid Water: Energy Relaxation and Transfer Processes of the OH Stretch and the HOH BendSho Imoto, Sotiris S Xantheas, Shinji SaitoThe Journal of Physical Chemistry. A|June 29, 2013
Cooperative roles of charge transfer and dispersion terms in hydrogen-bonded networks of (H2O)n, n = 6, 11, and 16Suehiro Iwata, Pradipta Bandyopadhyay, Sotiris S XantheasThe Journal of Physical Chemistry. A|April 26, 2014
Benchmark theoretical study of the π-π binding energy in the benzene dimerEvangelos Miliordos, Edoardo Aprà, Sotiris S XantheasThe Journal of Chemical Physics|August 20, 2014
Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactionsJasper C Werhahn, Dai Akase, Sotiris S XantheasThe Journal of Chemical Physics|August 17, 2017
A surprisingly simple correlation between the classical and quantum structural networks in liquid waterPeter Hamm, George S Fanourgakis, Sotiris S XantheasThe Journal of Physical Chemistry. A|March 4, 2021
Cryogenic Vibrationally Resolved Photoelectron Spectroscopy of OH-(H2O): Confirmation of Multidimensional Franck-Condon Simulation Results for the Transition State of the OH + H2O ReactionWenjin Cao, Sotiris S Xantheas, Xue-Bin WangPageof 15