Global and local curvature in density functional theory
Zhao, Qing, Ioannidis, Efthymios I, Kulik, Heather J
Published in The Journal of chemical physics (07.08.2016)
Published in The Journal of chemical physics (07.08.2016)
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Journal Article
Ligand-Field-Dependent Behavior of Meta-GGA Exchange in Transition-Metal Complex Spin-State Ordering
Ioannidis, Efthymios I, Kulik, Heather J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.02.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.02.2017)
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Journal Article
molSimplify: A toolkit for automating discovery in inorganic chemistry
Ioannidis, Efthymios I., Gani, Terry Z. H., Kulik, Heather J.
Published in Journal of computational chemistry (15.08.2016)
Published in Journal of computational chemistry (15.08.2016)
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Journal Article
Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation
Gani, Terry Z. H, Ioannidis, Efthymios I, Kulik, Heather J
Published in Chemistry of materials (13.09.2016)
Published in Chemistry of materials (13.09.2016)
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