Validation of the Green’s Function Approximation for the Calculation of Magnetic Exchange Couplings
Aebersold, Lucas E., Hale, Ashlyn R., Christou, George, Peralta, Juan E.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.09.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.09.2022)
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Journal Article
Efficacy of Density Functionals and Relativistic Effective Core Potentials for Lanthanide-Containing Species: The Ln54 Molecule Set
Aebersold, Lucas E, Yuwono, Stephen H, Schoendorff, George, Wilson, Angela K
Published in Journal of chemical theory and computation (13.06.2017)
Published in Journal of chemical theory and computation (13.06.2017)
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Journal Article
MCEND: An open-source program for quantum electron-nuclear dynamics
Ulusoy, Inga S., Aebersold, Lucas E., Wang, Cong, Wilson, Angela K.
Published in Computer physics communications (01.02.2025)
Published in Computer physics communications (01.02.2025)
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Journal Article
Analysis of spin frustration in an FeIII7 cluster using a combination of computational, experimental, and magnetostructural correlation methods
Hale, Ashlyn R., Aebersold, Lucas E., Peralta, Juan E., Foguet-Albiol, Dolos, Abboud, Khalil A., Christou, George
Published in Polyhedron (01.10.2022)
Published in Polyhedron (01.10.2022)
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Journal Article
Analysis of spin frustration in an FeIII7 cluster using a combination of computational, experimental, and magnetostructural correlation methods
Hale, Ashlyn R., Aebersold, Lucas E., Peralta, Juan E., Foguet-Albiol, Dolos, Abboud, Khalil A., Christou, George
Published in Polyhedron (11.08.2022)
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Published in Polyhedron (11.08.2022)
Journal Article