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George S Fanourgakis

Showing results (1-10 of 19) with videos related to

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The Journal of Physical Chemistry. B|January 23, 2015
An extension of Wolf's method for the treatment of electrostatic interactions: application to liquid water and aqueous solutionsGeorge S Fanourgakis
The Journal of Chemical Physics|February 27, 2008
Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid waterGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Physical Chemistry. A|March 17, 2006
The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisitedGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Chemical Physics|May 13, 2006
The bend angle of water in ice Ih and liquid water: The significance of implementing the nonlinear monomer dipole moment surface in classical interaction potentialsGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Chemical Physics|February 9, 2022
Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storageGeorge S Fanourgakis, Konstantinos Gkagkas, George Froudakis
The 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 Xantheas
The Journal of Physical Chemistry. A|February 23, 2012
Determining the bulk viscosity of rigid water modelsGeorge S Fanourgakis, J S Medina, R Prosmiti
The Journal of Chemical Physics|July 30, 2004
High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentialsGeorge S Fanourgakis, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid waterScott Habershon, George S Fanourgakis, David E Manolopoulos
The Journal of Chemical Physics|September 11, 2009
A fast path integral method for polarizable force fieldsGeorge S Fanourgakis, Thomas E Markland, David E Manolopoulos
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. B|January 23, 2015
An extension of Wolf's method for the treatment of electrostatic interactions: application to liquid water and aqueous solutionsGeorge S Fanourgakis
The Journal of Chemical Physics|February 27, 2008
Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid waterGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Physical Chemistry. A|March 17, 2006
The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisitedGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Chemical Physics|May 13, 2006
The bend angle of water in ice Ih and liquid water: The significance of implementing the nonlinear monomer dipole moment surface in classical interaction potentialsGeorge S Fanourgakis, Sotiris S Xantheas
The Journal of Chemical Physics|February 9, 2022
Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storageGeorge S Fanourgakis, Konstantinos Gkagkas, George Froudakis
The 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 Xantheas
The Journal of Physical Chemistry. A|February 23, 2012
Determining the bulk viscosity of rigid water modelsGeorge S Fanourgakis, J S Medina, R Prosmiti
The Journal of Chemical Physics|July 30, 2004
High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentialsGeorge S Fanourgakis, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid waterScott Habershon, George S Fanourgakis, David E Manolopoulos
The Journal of Chemical Physics|September 11, 2009
A fast path integral method for polarizable force fieldsGeorge S Fanourgakis, Thomas E Markland, David E Manolopoulos
Pageof 2