Publications by authors named "E Moerman"

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Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit.
Evgeny Moerman, Alejandro Gallo, Andreas Irmler, Tobias Schäfer, Felix Hummel

J Chem Theory Comput· February 2025

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Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in Water.
Evgeny Moerman, David Furman, David J Wales

J Chem Inf Model· March 2021

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Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications.
Evgeny Moerman, David Furman, David J Wales

J Chem Theory Comput· January 2021

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Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem.
Jannis Erhard, Steffen Fauser, Simon Kalaß, Evgeny Moerman, Egor Trushin

Faraday Discuss· December 2020

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Interindividual Heterogeneity of SGLT2 Expression and Function in Human Pancreatic Islets.
Chiara Saponaro, Markus Mühlemann, Ana Acosta-Montalvo, Anthony Piron, Valery Gmyr, Ericka Moerman

Diabetes· May 2020

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