Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure. - Andrei M. Tokmachev; Andreì L. Tchougréeff (J. Comput. Chem., 2001)

Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics. - Mikhail B. Darkhovskii; Igor V. Pletnev; Andreì L. Tchougréeff (J. Comput. Chem., 2003)

Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics. - Andrei M. Tokmachev; Andreì L. Tchougréeff (J. Comput. Chem., 2005)

A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)2. - Andreì L. Tchougréeff; Richard Dronskowski (J. Comput. Chem., 2008)

CARTESIUS: a group function based toolkit for hybrid molecular modelling. - Mikhail Rudenko; Andreì L. Tchougréeff (J. Cheminformatics, 2010)

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids. - Stefan Maintz; Volker L. Deringer; Andreì L. Tchougréeff; Richard Dronskowski (J. Comput. Chem., 2013)

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT. - Stefan Maintz; Volker L. Deringer; Andreì L. Tchougréeff; Richard Dronskowski (J. Comput. Chem., 2016)

cartesius fort - object fortran Library for Chemistry and Materials Science. - Andreì L. Tchougréeff (ICCSA (4), 2019)

ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states. - Evgeny Plekhanov; Andreì L. Tchougréeff; Richard Dronskowski (Comput. Phys. Commun., 2020)

Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo. - Ilya V. Popov; Timofei S. Kushnir; Andreì L. Tchougréeff (J. Comput. Chem., 2021)

Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available. - Andreì L. Tchougréeff; Evgeny Plekhanov; Richard Dronskowski (J. Comput. Chem., 2021)

Highly Efficient Numerical Method for Modeling Mofs Containing Transition Metal Ions. - D. D. Raenko; Andreì L. Tchougréeff (J. Comput. Chem., 2025)