Andreì L. Tchougréeff

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Highly Efficient Numerical Method for Modeling Mofs Containing Transition Metal Ions.
J. Comput. Chem.
D. D. Raenko, Andreì L. Tchougréeff
2021 J jnl
Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo.
J. Comput. Chem.
Ilya V. Popov, Timofei S. Kushnir, Andreì L. Tchougréeff
2021 J jnl
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available.
J. Comput. Chem.
Andreì L. Tchougréeff, Evgeny Plekhanov, Richard Dronskowski
2020 J jnl
ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states.
Comput. Phys. Commun.
Evgeny Plekhanov, Andreì L. Tchougréeff, Richard Dronskowski
2019 — conf
cartesius fort - object fortran Library for Chemistry and Materials Science.
ICCSA (4)
Andreì L. Tchougréeff
2016 J jnl
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.
J. Comput. Chem.
Stefan Maintz, Volker L. Deringer, Andreì L. Tchougréeff, Richard Dronskowski
2013 J jnl
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.
J. Comput. Chem.
Stefan Maintz, Volker L. Deringer, Andreì L. Tchougréeff, Richard Dronskowski
2010 J jnl
CARTESIUS: a group function based toolkit for hybrid molecular modelling.
J. Cheminformatics
Mikhail Rudenko, Andreì L. Tchougréeff
2008 J jnl
A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)
J. Comput. Chem.
Andreì L. Tchougréeff, Richard Dronskowski
2005 J jnl
Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics.
J. Comput. Chem.
Andrei M. Tokmachev, Andreì L. Tchougréeff
2003 J jnl
Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics.
J. Comput. Chem.
Mikhail B. Darkhovskii, Igor V. Pletnev, Andreì L. Tchougréeff
2001 J jnl
Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure.
J. Comput. Chem.
Andrei M. Tokmachev, Andreì L. Tchougréeff