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Nature
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February 6, 2009
Computational chemistry: Dances with hydrogen cations
Sotiris S Xantheas
Science (New York, N.Y.)
|
December 10, 2016
Spying on the neighbors' pool
Sotiris S Xantheas
The Journal of Chemical Physics
|
July 1, 2022
Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XH<sub>n</sub> (X = C, Si, Ge, Sn; n = 1-4)
Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
February 11, 2024
Erratum: "Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported 'first row anomaly' in XHn (X = C, Si, Ge, Sn; n = 1-4)" [J. Chem. Phys. 156, 244303 (2022)]
Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
June 22, 2015
An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H2O)m, m = 2-6, 8, 11, 16, and 17
Evangelos Miliordos, Sotiris S Xantheas
The Journal of Chemical Physics
|
October 1, 2022
Publisher's Note: "Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XH<sub>n</sub> (X = C, Si, Ge, Sn; n = 1-4)" [J. Chem. Phys. 156, 244303 (2022)]
Demeter Tzeli, Sotiris S Xantheas
The Journal of Physical Chemistry. A
|
January 21, 2011
The role of hydrophobic surfaces in altering water-mediated peptide-peptide interactions in an aqueous environment
Soohaeng Yoo, Sotiris S Xantheas
The Journal of Chemical Physics
|
July 23, 2004
The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential results
Sotiris S Xantheas, Edoardo Aprà
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2013
Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: a case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+
Evangelos Miliordos, Sotiris S Xantheas
Journal of the American Chemical Society
|
February 7, 2014
On the bonding nature of ozone (O3) and its sulfur-substituted analogues SO2, OS2, and S3: correlation between their biradical character and molecular properties
Evangelos Miliordos, Sotiris S Xantheas
Page
of 15
Search research articles
Search
Showing results (1-10 of 143) with videos related to
Sort By:
Page
of 15
Nature
|
February 6, 2009
Computational chemistry: Dances with hydrogen cations
Sotiris S Xantheas
Science (New York, N.Y.)
|
December 10, 2016
Spying on the neighbors' pool
Sotiris S Xantheas
The Journal of Chemical Physics
|
July 1, 2022
Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XH<sub>n</sub> (X = C, Si, Ge, Sn; n = 1-4)
Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
February 11, 2024
Erratum: "Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported 'first row anomaly' in XHn (X = C, Si, Ge, Sn; n = 1-4)" [J. Chem. Phys. 156, 244303 (2022)]
Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
June 22, 2015
An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H2O)m, m = 2-6, 8, 11, 16, and 17
Evangelos Miliordos, Sotiris S Xantheas
The Journal of Chemical Physics
|
October 1, 2022
Publisher's Note: "Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XH<sub>n</sub> (X = C, Si, Ge, Sn; n = 1-4)" [J. Chem. Phys. 156, 244303 (2022)]
Demeter Tzeli, Sotiris S Xantheas
The Journal of Physical Chemistry. A
|
January 21, 2011
The role of hydrophobic surfaces in altering water-mediated peptide-peptide interactions in an aqueous environment
Soohaeng Yoo, Sotiris S Xantheas
The Journal of Chemical Physics
|
July 23, 2004
The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential results
Sotiris S Xantheas, Edoardo Aprà
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2013
Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: a case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+
Evangelos Miliordos, Sotiris S Xantheas
Journal of the American Chemical Society
|
February 7, 2014
On the bonding nature of ozone (O3) and its sulfur-substituted analogues SO2, OS2, and S3: correlation between their biradical character and molecular properties
Evangelos Miliordos, Sotiris S Xantheas
Page
of 15