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Sotiris S. Xantheas | doi.page

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Sotiris S. Xantheas

Battelle(US)Pacific Northwest National Laboratory(US)University of Washington(US)Computational Physics (United States)(US)

Publications by Year

Research Areas

Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum, superfluid, helium dynamics, Atmospheric Ozone and Climate, Inorganic Fluorides and Related Compounds

Most-Cited Works

→ Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra(1993)826 cited
→ Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions(1994)706 cited
→ On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy(1996)672 cited
→ Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances(2004)641 cited
→ Potential energy surfaces near intersections(1991)500 cited
→ Cooperativity and hydrogen bonding network in water clusters(2000)473 cited

→ Ab initio studies of cyclic water clusters (H2O)n, n=1–6. III. Comparison of density functional with MP2 results(1995)

401 cited

→ Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles(2002)393 cited

→ 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 water(2008)373 cited

→ Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface(2002)256 cited