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Sotiris S Xantheas

6PUBLICATIONS

7CO-AUTHORS

Computational chemistryTheoretical quantum chemistryElectronic and magnetic properties of condensed matter; superconductivityCatalysis and mechanisms of reactionsMetal cluster chemistry

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Publications (6)

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|Jul 17, 2020

A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters.

Jenna A Bilbrey, Joseph P Heindel, Malachi Schram

|Dec 12, 2019

Atlas of putative minima and low-lying energy networks of water clusters n = 3-25.

Avijit Rakshit, Pradipta Bandyopadhyay, Joseph P Heindel

|May 03, 2019

A benchmark photoelectron spectroscopic and theoretical study of the electronic stability of [B<sub>12</sub>H<sub>12</sub>]<sup>2</sup>.

Edoardo Aprà, Jonas Warneke, Sotiris S Xantheas

|Dec 17, 2018

Communication: Water activation and splitting by single metal-atom anions.

Gaoxiang Liu, Evangelos Miliordos, Sandra M Ciborowski

|Nov 23, 2017

Ortho-para interconversion in cation-water complexes: The case of V<sup>+</sup>(H<sub>2</sub>O) and Nb<sup>+</sup>(H<sub>2</sub>O) clusters.

T B Ward, E Miliordos, P D Carnegie

|Aug 17, 2017

A surprisingly simple correlation between the classical and quantum structural networks in liquid water.

Peter Hamm, George S Fanourgakis, Sotiris S Xantheas

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Frequent Collaborators

1 joint publications

M A Duncan

1 joint publications

Peter Hamm

1 joint publications

Evangelos Miliordos

1 joint publications

Martin Tschurl

1 joint publications

Edoardo Aprà

1 joint publications

Jonas Warneke

1 joint publications

Xue-Bin Wang

Frequent Collaborators

1 joint publications

M A Duncan

1 joint publications

Peter Hamm

1 joint publications

Evangelos Miliordos

1 joint publications

Martin Tschurl

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