Sotiris Xantheas - Dissemin

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Papers authored by Sotiris Xantheas

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1994 Sotiris S. Xantheas

ORCID

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

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1993 S. S. Xantheas

ORCID

, T. H. Dunning

Ab initio studies of cyclic water clusters (H2O)n, n=1-6. I. Optimal structures and vibrational spectra

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Sotiris S. Xantheas

ORCID

, Thom H. Dunning

The structure of the water trimer from ab initio calculations

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S. S. Xantheas

ORCID

, T. H. Dunning

Theoretical estimate of the enthalpy of formation of HSO and the HSO-SOH isomerization energy

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S. S. Xantheas

ORCID

, T. H. Dunning

Theoretical studies of sulfurous species of importance in atmospheric chemistry. 1. Characterization of the HSO and SOH isomers

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1992 Sotiris S. Xantheas

ORCID

, Thom H. Dunning

Structures of anion-water clusters: H-(H2O)n, n = 1-3

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Robert J. Cave, Sotiris S. Xantheas

ORCID

, David Feller

Exploiting regularity in systematic sequences of wavefunctions which approach the full CI limit

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1991 Sotiris S. Xantheas

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, Gregory J. Atchity, Stephen T. Elbert, Klaus Ruedenberg

Potential energy surfaces of ozone. I

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S. Xantheas

ORCID

, P. Valtazanos, K. Ruedenberg

The ring opening of cyclopropylidene to allene and the isomerization of allene:ab initio interpretation of the electronic rearrangements in terms of quasi-atomic orbitals

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S. Xantheas

ORCID

, S. T. Elbert, K. Ruedenberg

The ring opening of cyclopropylidene to allene: key features of the accurate reaction surface

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Gregory J. Atchity, Sotirios S. Xantheas

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, Klaus Ruedenberg

Potential energy surfaces near intersections

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P. Valtazanos, S. T. Elbert, S. Xantheas

ORCID

, K. Ruedenberg

The ring opening of cyclopropylidene to allene: global features of the reaction surface

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1990 Sotiris S. Xantheas

ORCID

, S. T. Elbert, Klaus Ruedenberg

The potential energy surface of the ground state of carbon dioxide

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S. Xantheas

ORCID

, S. T. Elbert, K. Ruedenberg

An intersection seam between the ground state of ozone and an excited state of like symmetry [7]

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1970 Sotiris S. Xantheas

ORCID

Interaction Potentials for Water from Accurate Cluster Calculations

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