MSc in Chemistry, (Lomonosoff Moscow State University), PhD in Chemical Physics (Quantum Chemistry) (Karpov Institute), Postdoctoral Fellowships at Cornell Univercity , Ithaca, New York, USA (with Roald Hoffmann); Laboratoire de Chimie Inorganique, Université de Paris-Sud, Orsay, France; Max-Planck-Institut für Physik komplexer Systeme, Dresden, Germany, DSc in Condenced Matter Physics (Karpov Institute).
All aspects of theoretical inorganic chemistry. We develop quantum chemical methods which apply to a wide range of transition metal complexes (TMC) and related solids. Also their reactivity is of interest. What is imporant with TMC it is the pretty localized d-shell which almost does not change too much as compared to that in a free ion. The spin multiplets of the free ion survive the complex formation. This is in contrast with the situation in organic compounds, where the multiplet structure of say carbon atom is completely lost in the methane molecule. This creates some problems not completely solvable by standard quantum chemical approaches. And their solution is what we provide.
Director for the V.A. Fock School for Quantum and Computational Chemistry
Principal Scientist at the Institut für Anorganische Chemie von Rheinisch-Westfälische Technische Hochschule, Aachen, Germany
Secretary for the Section of Quantum and Computational Chemistry at the D.I. Mendeleev Russian Chemical Society
Russia's delegate for the Division for Computational & Theoretical Chemistry at the European Association for Chemical and Molecular Sciences (EuCheMS) - former Federation of European Chemical Societies (FECS).
Principal Scientist at the Laboratory of Sorption Processes of the A.N. Frumkin Institute of Physical Chemistry & Electrochemistry of the Russian Academy of Science.
Quantum Chemistry of Complex Systems - undergraduate level special course for the students of the Chemistry Department of the Moscow State University majoring in Quantum Chemistry.
Deductive Molecular Mechanics - undergraduate level special course for the students of the Chemistry Department of the Moscow State University majoring in Quantum Chemistry.
Quantum Chemistry of Catalysis - undergraduate level special course for the students of the Chemistry Department of the Moscow State University majoring in Quantum Chemistry.
Electronic Structure and Properties of Transition Metal Complexes & Related Solids
O(N) Methods of Analysis of Molecular Electronic Structure and Foundations of Molecular Mechanics and Hybrid QM/MM Methods: lead to a book Hybrid Methods of Molecular Modeling available from Springer.
Magnetic Interactions in Transition Metal Complexes
Internet accessibility of the home and third party software (NetLaboratory)
Complex of programs for modeling molecular electronics devices (Cartesius)
Editing the Russian reprint version of the book by Hans Hellmann "Quantenchemie" - the first book appeared under this title.
Editing the Russian translation of the book Simple Theorems, Proofs, and Derivations in Quantum Chemistry by Istvan Mayer
Translated into Russian R. Hoffmann's Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, VCH, New York, 1988. Mir, Moscow, 1990.
Multiple specific tasks are available within the scope of these projects.
The research ones may progressively serve as a basis for the course works in Physical Chemistry, Structure of Molecules
undergraduate courses tought at the Chemistry Department, and then as a basis for the Diploma (MSc) works and PhD Theses.
To learn more about results of our research and to get some of our preprints see the Publications and Talks pages.
You may have a *.ps copy of my DSc Thesis [naturally in Russian] and of its short account (autoreferat).
Those who are interested in taking part in our research or want to ask questions please contact me at firstname.lastname@example.org. You may make an impression of what is the circle of topics to be studied while staying in the group by consulting the page [in Russian].
Andrei L Tchougreeff Group Leader
Anton V. Sinitsky Researcher
Timophey S Kushnir System Administration Expert
Those who are interested in joining the group as Practicants, Stagers, MSc, PhD Students or want to ask questions please send your details to email@example.com