A bulk adjusted linear combination of atomic orbitals (BA-LCAO) approach for nanoparticles. - Alexey L. Kaledin; Craig L. Hill; Tianquan Lian; Djamaladdin G. Musaev (J. Comput. Chem., 2019)

The electronic structure of thorium monoxide: Ligand field assignment of states in the range 0-5 eV. - Leonid A. Kaledin; Alexey L. Kaledin; Michael C. Heaven (J. Comput. Chem., 2019)

Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis. - Oluwaseun Omodemi; Martina Kaledin; Alexey L. Kaledin (J. Comput. Chem., 2022)