Sotiris S. Xantheas

<i>Ab</i> <i>initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. I. Optimal structures and vibrational spectra

Sotiris S. Xantheas, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 833 citations

Natural Sciences, Chemistry, Physics +12

<i>Ab initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. II. Analysis of many-body interactions

Sotiris S. Xantheas · The Journal of Chemical Physics · 1994 · 713 citations

Natural Sciences, Chemistry, Physics +16

On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy

Sotiris S. Xantheas · The Journal of Chemical Physics · 1996 · 674 citations

Natural Sciences, Chemistry, Physics +14

Potential energy surfaces near intersections

Gregory J. Atchity, Sotiris S. Xantheas, Klaus Ruedenberg · The Journal of Chemical Physics · 1991 · 506 citations

Natural Sciences, Earth Sciences, Dynamical Systems +14

Cooperativity and hydrogen bonding network in water clusters

Sotiris S. Xantheas · Chemical Physics · 2000 · 476 citations

Natural Sciences, Chemistry, Physics +14