Andreì L. Tchougréeff
Orcid: 0000-0002-8077-1168
According to our database1,
Andreì L. Tchougréeff
authored at least 11 papers
between 2001 and 2021.
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Bibliography
2021
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available.
J. Comput. Chem., 2021
Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo.
J. Comput. Chem., 2021
2020
ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states.
Comput. Phys. Commun., 2020
2019
Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019
2016
J. Comput. Chem., 2016
2013
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.
J. Comput. Chem., 2013
2010
J. Cheminformatics, 2010
2008
A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)<sub>2</sub>.
J. Comput. Chem., 2008
2005
Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics.
J. Comput. Chem., 2005
2003
Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics.
J. Comput. Chem., 2003
2001
Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure.
J. Comput. Chem., 2001