Andrei L. Tchougréeff

发表

ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states

Richard Dronskowski, Evgeny Plekhanov, Andrei L. Tchougréeff, 2020, Comput. Phys. Commun..

Effective electronic Hamiltonian for quantum subsystem in hybrid QM/MM methods as derived from APSLG description of electronic structure of classical part of molecular system☆

Andrei L. Tchougréeff, A. Tchougréeff, A. Tokmachev, 2000 .

Several stories from theoretical chemistry with some Russian flavor and implications for theorems of chemistry, vagueness of its concepts, fuzziness of its definitions, iconicity of its language, and peculiarities of its nomenclature

Andrei L. Tchougréeff, A. Tchougréeff, 2016 .

Atomic orbitals revisited: generalized hydrogen-like basis sets for 2nd-row elements

Andrei L. Tchougréeff, Ilya V. Popov, A. Tchougréeff, 2018, Theoretical Chemistry Accounts.

Deductive molecular mechanics of sp3 carbon atom

Andrei L. Tchougréeff, Andrey M. Tokmachev, 2004 .

Deriving a mechanistic model for potential energy surface of coordination compounds of nontransition elements

Andrei L. Tchougréeff, 2007 .

High-spin-low-spin transitions in Fe(II) complexes by effective Hamiltonian method

Olivier Kahn, Andrei L. Tchougréeff, A. Tchougréeff, 1995 .

Resonating Valence Bonds in Chemistry and Solid State

Andrei L. Tchougréeff, A. Tchougréeff, Evgeny Plekhanov, 2017 .

Charge Density Wave State of Monolayers in Graphite Intercalation Compounds

Andrei L. Tchougréeff, 1996 .

Hybrid molecular mechanics: For effective crystal field method for modeling potential energy surfaces of transition metal complexes

Igor V. Pletnev, Andrei L. Tchougréeff, M. B. Darhovskii, 2002 .

Group functions approach based on the combination of strictly local geminals and molecular orbitals

Andrei M. Tokmachev, Andrei L. Tchougréeff, 2006 .

SO(4) group and deductive molecular mechanics

Andrei L. Tchougréeff, A. Tchougréeff, 2003 .

Hybrid Methods of Molecular Modeling

Andrei L. Tchougréeff, A. Tchougréeff, Andrei L. TchougrÃ©eff, 2008 .

Generic molecular mechanics as based on local quantum description of molecular electronic structure

Andrei L. Tchougréeff, Andrey M. Tokmachev, 2002 .

Effective hamiltonian crystal field: Present status and applications to iron compounds

Richard Dronskowski, Andrei L. Tchougréeff, Jan van Leusen, 2016 .

Intra-atomic exchange and ferromagnetic interaction in metallocene-based donor-acceptor stacked crystals

Andrei L. Tchougréeff, A. Tchougréeff, I. A. Misurkin, 1992 .

Group functions, Löwdin partition, and hybrid QC/MM methods for large molecular systems

Andrei L. Tchougréeff, A. Tchougréeff, 1999 .

Effective Hamiltonian crystal fields: Present status and applicability to magnetic interactions in polynuclear transition metal complexes

Andrei L. Tchougréeff, A. Tchougréeff, A. Soudackov, 2014, Russian Journal of Physical Chemistry A.

Ionization potentials within semiempirical antisymmetrized product of strictly localized geminals approach

Andrei L. Tchougréeff, A. Tchougréeff, A. Tokmachev, 2001 .

Potential Energy Surfaces in Hybrid Quantum Mechanical/Molecular Mechanical Methods

Andrei L. Tchougréeff, A. Tchougréeff, A. Tokmachev, 2001 .

Lattice relaxation and order in the low-spin to high-spin transitions in molecular crystals

Andrei L. Tchougréeff, A. Tchougréeff, M. B. Darkhovskii, 1996 .

CHARGE AND SPIN-DENSITY WAVES IN THE ELECTRONIC-STRUCTURE OF GRAPHITE - APPLICATION TO ANALYSIS OF STM IMAGES

Roald Hoffmann, Andrei L. Tchougréeff, R. Hoffmann, 1992 .

Fast NDDO Method for Molecular Structure Calculations Based on Strictly Localized Geminals

Andrei M. Tokmachev, Andrei L. Tchougréeff, A. Tchougréeff, 2003 .

Toward a theory of the room-temperature organometallic charge-transfer ferromagnet

Roald Hoffmann, Andrei L. Tchougréeff, R. Hoffmann, 1993 .

Heisenberg Hamiltonian for charge-transfer organometallic ferromagnets

Andrei L. Tchougréeff, A. Tchougréeff, 1992 .