Towards the chemistry of element 112 (eka-mercury). Benchmark relativistic calculations of properties of E112 vs. Hg compounds.
Poster on 43rd Symposium on Theoretical Chemistry (Saarbruecken, Germany, 16-20 September 2007).
Abstract.
Current Status of the Relativistic Effective Core Potential method.
Poster on Eleventh European Workshop on Quantum Systems in Chemistry and Physics (Pushkin, St.-Petersburg, Russia, 20-25 August 2006).
Abstract.
Theoretical study of spectroscopic properties of Hg2 and e1122.
Poster on IX Fock School on Quantum and Computational Chemistry (Novgorod the Great, 10-14 May 2005).
Abstract.
Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds.
Poster on IX Fock School on Quantum and Computational Chemistry (Novgorod the Great, 10-14 May 2005).
Abstract.
On generation of optimal one-electron atomic basis sets for correlation calculations of molecules.
Poster on IX Fock School on Quantum and Computational Chemistry (Novgorod the Great, 10-14 May 2005).
Abstract.
Calculation of the PbO molecule for the electron EDM experiment.
Poster on VII Fock School on Quantum and Computational Chemistry (Novgorod the Great, 25-30 April 2004).
Abstract.
Two-step method and high-precision calculation of PNC effects in heavy-atom molecules.
Poster on the 15th annual workshop on Recent Developments in Electronic Structure Methods, 17-19 May 2003, Minneapolis, Minnesota, USA.
Abstract.
Relativistic effective core potentials providing 'chemical accuracy' in calculation of heavy-atom compounds.
Poster on the 15th annual workshop on Recent Developments in Electronic Structure Methods, 17-19 May 2003, Minneapolis, Minnesota, USA.
Abstract.
Generalized Relativistic Effective Core Potentials for superheavy elements.
Poster on the VI Fock School on Quantum and Computational Chemistry, Novgorod the Great, 12-16 May 2003.
Abstract
Studying the Breit effects in actinides.
Poster on the VI Fock School on Quantum and Computational Chemistry, Novgorod the Great, 12-16 May 2003.
Abstract
Precise Calculations of HgH and YbF Molecules Employing Generalized Relativistic Effective Core Potential and Relativistic Coupled Cluster Method.
Poster on VI International Congress on Theoretical Chemical Physics, 2002, 9-16 July, Marly-le-Roi, France.
Self-Consistent Relativistic Effective Core Potential Method for for Calculations of Compounds of Transistion Metals, Lanthanides and Actinides.
Poster on NATO ASI Metal-ligand interactions in molecular-, nano-, micro-, and macro-systems in comlex environments, 2002, 1-12 September, Cetraro, Italy.
