Publications

Uranium as a possible criterion for the hydro-chemical alteration of betafite

Nuclear Chemical Effects in the Paragenetic Mineral Association Based on Polycrase

On the feasibility of determining the 230Th activity in minerals without the addition of a Th radiotracer

On the identification of Ti-Ta- Nb-oxides in “wiikites” from Karelia.

$\mathcal{P}, \mathcal{T}$-odd Faraday rotation in heavy neutral atoms

Considerations towards the possibility of the observation of parity nonconservation in highly charged ions in storage rings

Adsorption of the astatine species on a gold surface: A relativistic density functional theory study

Towards Ultracold Chiral Molecules

Calculation of Chemical Shifts of X-Ray-Emission Spectra of Niobium in Niobium(V) Oxides Relative to Metal

Global and local approaches to population analysis: Bonding patterns in superheavy element compounds

Evaluation of $\mathit{CP}$ violation in ${\mathrm{HfF}}^{+}$

Systematic effects in the ${\mathrm{HfF}}^{+}$-ion experiment to search for the electron electric dipole moment

Hyperfine coupling of the iodine {${\boldsymbol{D}}{0}_{{\boldsymbol{u}}}^{+}$} and β 1 g ion-pair states

The Iodine Molecule: Insights into Intra- and Intermolecular Perturbation in Diatomic Molecules

A Quantum Chemical Study of C60Cl30, C60(OH)30 Molecules and Fe@C60(OH)30 Endocomplex

Quantum Chemical Study of Niobium and Tantalum M4O10 Oxide Clusters and M4O10--Anions

A Quantum Chemical Study of the Acidity of Acetylene and 1,2-Dihydrobuckminsterfullerene Derivatives

Chemical Shift of the K$\alpha$1 and K$\alpha$2 Lines of the X-ray Emission Spectrum of Yb(II)/Yb(III) Fluorides: a Quantum-Chemical Investigation

Chemical shifts of Kα1 and Kα2 lines in X-ray emission spectra of Yb(II)/Yb(III) fluorides: A quantum chemical study

Enhanced nuclear-spin-dependent parity-violation effects using the $^{199}\mathrm{HgH}$ molecule

The nuclear magnetic moment of 208Bi and its relevance for a test of bound-state strong-field QED

New Nuclear Magnetic Moment of $^{209}\mathrm{Bi}$: Resolving the Bismuth Hyperfine Puzzle

Applications of the Kharkov potential in the theory of nuclear forces and nuclear reactions

Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method

Padé extrapolated effective Hamiltonians in the Fock space relativistic coupled cluster method

Non- identical thermochemical behavior of 234U-and 238U- isotopes in metamict britholite

Effects of parity nonconservation in a molecule of oxygen

$\mathcal{P},\mathcal{T}$-odd Faraday effect in intracavity absorption spectroscopy

Laser-coolable polyatomic molecules with heavy nuclei

Calculations of Chemical Shifts of X-ray Emission Spectra and Effective States of Nb Atom in the Niobates

Specific features of the cis labilization effect in the series of pentacarbonyltechnetium halides

Generalized relativistic effective core potentials for lanthanides

Projection population analysis for molecules with heavy and superheavy atoms

Zeeman interaction in the $^{3}\mathrm{\Delta}_{1}$ state of ${\mathbf{HfF}}^{+}$ to search for the electron electric dipole moment

Laser controlled charge-transfer reaction at low temperatures

Rabi frequency of the $H^{3}\mathrm{\Delta}_{1}$ to $C^{1}\mathrm{\Pi}$ transition in ThO: Influence of interaction with electric and magnetic fields

Pendular trapping conditions for ultracold polar molecules enforced by external electric fields

Universality and chaoticity in ultracold K+KRb chemical reactions

Simulation of metal ion coordination sphere in crystals with fluorite structure

Valence of an atom and bond indices in the relativistic theory of electronic structure of chemical compounds

A quantum chemical study of the Fe@C60 endocomplex

A quantum chemical study of gallium(III) ($\mu$-oxo)bis[phthalocyaninate] and gallium(III) ($\mu$-oxo)bis[perfluorophthalocyaninate] molecules

Chemical shifts of X-ray emission spectra and effective states of ytterbium in fluorides: embedded cluster modeling of YbF2 and YbF3 crystals

Communication: Theoretical study of HfF+ cation to search for the T,P-odd interactions

Enhanced effect of $CP$-violating nuclear magnetic quadrupole moment in a ${\mathrm{HfF}}^{+}$ molecule

Scalar-pseudoscalar interaction in the francium atom

Approximate relativistic coupled-cluster calculations on heavy alkali-metal diatomics: Application to the spin-orbit-coupled ${A}^{1}{\mathrm{\Sigma}}^{+}$ and ${b}^{3}\mathrm{\Pi}$ states of RbCs and ${\mathrm{Cs}}_{2}$

Redox states of uranium in samples of microlite and monazite

Квантовохимическое моделирование электронной структуры соединений сверхтяжелых элементов

Polyatomic Candidates for Cooling of Molecules with Lasers from Simple Theoretical Concepts

Метод расчета химических сдвигов рентгеновских эмиссионных спектров

Reactivity of higher technetium carbonyls in CO replacement: A quantum chemical analysis

Generalized relativistic effective core potentials for actinides

Near-resonant rovibronic Raman scattering from 0g+ (bb) valence state via the D0u+ ion-pair state in iodine molecule

Photoassociative production of ultracold heteronuclear ${\mathrm{YbLi}}^{*}$ molecules

Computational study of structure, electronic, and microscopic charge transport properties of small conjugated diketopyrrolopyrrole-thiophene molecules

Quantum chemical calculation of spectroscopic and photoelectronic characteristics of [n]staffanes

Quantum-chemical study of lutetium and ytterbium bis- and tetrakis(phthalocyaninates)

Quantum-chemical study of ytterbium fluorides and of complex F2YbF2CeF2

Quantum-chemical study of lutetium, ytterbium, and gadolinium phthalocyaninates PcLnCl

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search

LCAO-based theoretical study of PbTiO3 crystal to search for parity and time reversal violating interaction in solids

Reply to the Comment on "Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of $H^3\Delta_1$ in ThO"

Chemical bonding and effective atomic states of actinides in higher oxide molecules

First Principle Based Modeling and Interpretation of Chemical Experiments on Superheavy Element Identification

The Geoceramics Based on Apatite ORE Tailings as Matrices for Immobilization of Sr-Cs-fractions of HLW

A polyphase geoceramic matrix for joint immobilization of the strontium-cesium and rare earth fractions of high-level waste

A comparative study of molecular hydroxides of element 113 (I) and its possible analogs: Ab initio electronic structure calculations

Chemical Pseudo-Homologues of Superheavy Element 113

Emergence of Chaotic Scattering in Ultracold Er and Dy

Ultracold Dipolar Molecules Composed of Strongly Magnetic Atoms

Photodissociation spectroscopy of the dysprosium monochloride molecular ion

ac Stark effect in ThO ${H}^{3}{\mathrm{\Delta}}_{1}$ for the electron electric-dipole-moment search

Ultracold chemistry with alkali-metal--rare-earth molecules

Magnetic field dependent interactions in an ultracold Li–Yb( 3 P 2 ) mixture

Magnetic control of ultra-cold 6 Li and 174 Yb( 3 P 2 ) atom mixtures with Feshbach resonances

Quantum chemical study Ca@C60 and Sc+@C60 endo complexes in the gas phase and pyridine

Quantum chemical study of structure of ionic complexes of I and II groups metals with xenon or krypton

The estimation of the optical activity of polyatomic molecules by DFT methods

Quantum-chemical study of barbaralone in singlet and triplet states

Quantum chemical study of ethynylfullerenes

A quantum chemical study of diethynyl derivatives of dodecahedrane and buckminsterfullerene in vacuum and in tetrahydrofuran

Quantum chemical study of pentafluorophenylxenonium pentafluorobenzoate in the gas phase and acetonitrile solution

Quantum-chemical estimation of the relaxation of equilibrium structure upon radiochemical reactions of iodine-containing molecules and ions

Further investigation of $g$ factors for the lead monofluoride ground state

TaN molecule as a candidate for the search for a T,P-violating nuclear magnetic quadrupole moment

Theoretical study of ${\mathrm{ThF}}^{+}$ in the search for $T,P$-violation effects: Effective state of a Th atom in ${\mathrm{ThF}}^{+}$ and ThO compounds

Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H3Δ1 in ThO

Laser synthesis of ultracold alkali metal dimers: optimization and control

Plutonium and transplutonium element trioxides: molecular structures, chemical bonding, and isomers

Superheavy Element Chemistry by Relativistic Density Functional Theory Electronic Structure Modeling

Comparative nonempirical analysis of emission properties of the Ar–MeI n glow discharge (Me = Ga, Zn, Sn, In, Bi, Tl)

Simulation of chemical properties of superheavy elements from the island of stability

First principles based modeling of the adsorption of atoms of element 120 on a gold surface

Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity--violation effects

DFT study of potential energy surfaces and conical intersection structures of Rhenium(I) tricarbonyl diimine complexes

Reactivity of Tc(I) tetracarbonyl complexes

Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters

Application of discrete-continuum solvation model in a quantum chemical study of technetium(I) pentacarbonyl bromide decarbonylation

Zeeman interaction in ThO $H^{3}{\Delta}_{1}$ for the electron electric-dipole-moment search

Action spectroscopy of SrCl+ using an integrated ion trap time-of-flight mass spectrometer

Quantum chaos in ultracold collisions of gas-phase erbium atoms

Ultracold Heteronuclear Mixture of Ground and Excited State Atoms

Spin populations and free valences in excited molecules and in radicals

Quantum chemical study of the products and hypothetical intermediates in the dehydrobromination of bromobullvalene in furan

Quantum-chemical study of tautomers of reduced forms of anthraquinone

Quantum chemical study of $\alpha$-diazocarbonyl bullvalene derivatives and related heterocyclic compounds

A quantum-chemical study of intermediates of the 1O2 photogeneration sensitized by buckminsterfullerene and accompanying photochemical reactions

A quantum chemical study of the structure of dodecasilsequioxane H12Si12O18

$CP$-Violating Effect of the Th Nuclear Magnetic Quadrupole Moment: Accurate Many-Body Study of ThO

Search for parity- and time-and-parity--violation effects in lead monofluoride (PbF): Ab initio molecular study

Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores

Structures and stability of AnO4 isomers, An = Pu, Am, and Cm: a relativistic density functional study

Перспективы использования 225Ac в альфа-радиоиммунной терапии злокачественных новообразований

The thermochemistry of uranium and cerium in native britholite

Aluminosilicate-Phosphate Model of Polyphase Matrices for Immobilization of Sr-Cs-fractions of Nuclear Fuel Cycle HLW

Estimating the adsorption energy of element 113 on a gold surface

A comparative study of the chemical properties of element 120 and its homologs

Calculation of the parity- and time-reversal-violating interaction in ${}^{225}$RaO

Method for evaluating chemical shifts of x-ray emission lines in molecules and solids

Generalized relativistic effective core potential calculations of the adiabatic potential curve and spectroscopic constants for the ground electronic state of the Ca2 molecule

Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride

Enhanced effects of temporal variation of the fundamental constants in ${}^{2}{\Pi}_{1/2}$-term diatomic molecules: ${}^{207}$Pb${}^{19}$F

External field control of spin-dependent rotational decoherence of ultracold polar molecules

Communication: Theoretical study of ThO for the electron electric dipole moment search

The molecular frame electric dipole moment and hyperfine interactions in hafnium fluoride, HfF

Optical spectroscopy of tungsten carbide for uncertainty analysis in electron electric-dipole-moment search

Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120

Theoretical study of the parity and time reversal violating interaction in solids

Relativistic density functional theory modeling of plutonium and americium higher oxide molecules

Molecular anions of uranium fluorides and oxides: First principle based relativistic calculations

Interaction of copernicium with gold: Assessment of applicability of simple density functional theories

On the existence of oxide molecules of plutonium in highest oxidation states

Метод расчета химических сдвигов энергий переходов для внутренних атомных оболочек в молекулах и твердых телах

Reaction of technetium hexacarbonyl cation with acetonitrile: Kinetics, product structure, DFT calculations

Excited-state potential surfaces of ruthenium nitrosyl complexes: conical intersections and the Jahn-Teller effect

Anisotropy-Induced Feshbach Resonances in a Quantum Dipolar Gas of Highly Magnetic Atoms

Anisotropic Polarizability of Ultracold Polar $^{40}\mathrm{K}^{87}\mathrm{Rb}$ Molecules

Broadband velocity modulation spectroscopy of HfF+: Towards a measurement of the electron electric dipole moment

The effect of the iterative triple and quadruple cluster amplitudes on the adiabatic potential curve in the coupled cluster calculations of the ground electronic state of the Yb dimer

Hyperfine and Zeeman interactions of the $a(1)[{}^{3}{\Sigma}_{1}^{+}]$ state of PbO

Universalities in ultracold reactions of alkali-metal polar molecules

Measurement of a Large Chemical Reaction Rate between Ultracold Closed-Shell $^{40}\mathrm{Ca}$ Atoms and Open-Shell $^{174}\mathrm{Yb}^{+}$ Ions Held in a Hybrid Atom-Ion Trap

Ab initio properties of Li-group-II molecules for ultracold matter studies

Anisotropy in the interaction of ultracold dysprosium

Precision spectroscopy of the $^{207}\mathrm{Pb}$$^{19}\mathrm{F}$ molecule: Implications for measurement of $P$-odd and $T$-odd effects

Molecular-ion trap-depletion spectroscopy of BaCl${}^{+}$

Enhancement of the electron electric dipole moment in Eu${}^{2+}$

Ab initio study of element 113–gold interactions

Shape-consistent Relativistic Effective Potentials of Small Atomic Cores

Precision calculation of the low-lying excited states of the Rf atom

Progress toward the electron electric-dipole-moment search: Theoretical study of the PbF molecule

Communications: Adsorption of element 112 on the gold surface: Many-body wave function versus density functional theory

Two-component relativistic density functional theory modeling of the adsorption of element 114(eka-lead) on gold

Theoretical study of low-lying electronic terms and transition moments for $\mathrm{Hf}{\mathrm{F}}^{+}$ for the electron electric-dipole-moment search

Ab initio study of Hg-Hg and E112-E112 van der Waals interactions

Electron electric dipole moment: Relativistic correlation calculations of the $P,T$-violation effect in the ${^{3}\Delta}_{3}$ state of ${\text{PtH}}^{+}$

Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders

Ab initio calculation of the spectroscopic properties of TlF−

Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb

Electronic structure of crystalline uranium nitride: LCAO DFT calculations

Symmetry decomposition of quantum chemical bond orders

On the search for time variation in the fine-structure constant: Ab initio calculation of HfF+

Calculation of $\sigma$-, $\pi$-, and $\delta$-components of quantum-chemical bond orders

Theoretical studies on the structures and properties of superheavy element compounds

Search for the nuclear Schiff moment in liquid xenon

Theoretical study of $\mathrm{Hf}{\mathrm{F}}^{+}$ in search of the electron electric dipole moment

Quantum-chemical study of donor-acceptor interactions in chelate dicarbonyl complexes of rhodium(I)

Quantum chemical study of the bond orders in the ruthenium, diruthenium and dirhodium nitrosyl complexes

Rhodium and ruthenium tetracarboxylate nitrosyl complexes: Electronic structure and metal-metal bond

Quantum-chemical study of donor-acceptor interactions in rhodium(I) carbonyl carboxylate complexes with phosphine ligands

Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II)

Is E112 a relatively inert element? Benchmark relativistic correlation study of spectroscopic constants in E112H and its cation

Generalized RECPs accounting for Breit effects: uranium, plutonium and superheavy elements 112,113,114.

P,T-parity violation effects in polar heavy-atom molecules

Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)

Relativistic effective core potential calculations of Hg and eka-Hg (E112) interactions with gold: Spin-orbit density functional theory modeling of Hg–Aun and E112–Aun systems

In Search of the Electron Electric Dipole Moment: Relativistic Correlation Calculations of the $P,T$-Violating Effect in the Ground State of ${\mathrm{HI}}^{+}$

Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds

Configuration-interaction calculation of hyperfine and $P,T$-odd constants on $^{207}\mathrm{Pb}\mathrm{O}$ excited states for electron electric-dipole-moment experiments

Two-step method for precise calculation of core properties in molecules

Benchmark ab initio study of heavy- and superheavy-element systems.

In search of the electron dipole moment: Ab initio calculations on $^{207}\mathrm{PbO}$ excited states

Ab initio calculations of the electronic structure of the lead atom and its compounds with the chemical accuracy

Accounting for the Breit interaction in relativistic effective core potential calculations of actinides

Accuracy and efficiency of modern methods for electronic structure calculation on heavy-and superheavy-element compounds

GRECP/5e-MRD-CI calculation of the electronic structure of PbH

GRECP/MRD-CI calculations on the Hg atom and HgH molecule

Calculation of $\mathit{P},\mathit{T}$-Odd Effects in $^{205}T\mathrm{lF}$ Including Electron Correlation

Generalized Relativistic Effective Potential and restoration of the electronic structure in heavy atom cores and molecules

Study of the weak interactions by means of atomic and molecular spectroscopy.

Generalized relativistic effective core potential and relativistic coupled cluster calculation of the spectroscopic constants for the HgH molecule and its cation

Convergence improvement for coupled-cluster calculations

Electronic structure and fluorescence spectrum of the HeO+ cation

GRECP/MRD-CI calculations of spin-orbit splitting in ground state of Tl and of spectroscopic properties of TlH

Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb 2+

Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method

Quantum-chemical study of possibility of generating laser radiation on the excimer cations HeNa+, NeNa+, and HeO+

Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, Jülich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]

Generalized Relativistic Effective Core Potential Method: Theory and calculations

Theoretical study of low-lying electronic states and emission spectra of the excimer ions NaHe+ and NaNe+

Electronic Structure of the Excimer Emitting Systems of the Type Inert Gas-Alkali Metal: The HeNa$^+$ Cation

Generalized relativistic effective core potential: Theoretical grounds

Multiconfigurational calculations of electronic structure Ag2, Ag2$^+$ with effective core potential. II. Spectroscopic constants and low-lying electronic states

Electric dipole moment of the electron in the YbF molecule

All-electron Dirac-Coulomb and RECP calculations of excitation energies for mercury atom with combined CI/MBPT2 method

Comment on "Accurate relativistic effective potentials for the sixth-row main group elements" [J.Chem.Phys. 107, 9975 (1997)]

Multiconfigurational calculations of electronic structure Ag2, Ag2$^+$ with effective core potential. I. Atomic calculations and generation of effective core potential for Ag

Generalized relativistic effective core potential: Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn

Enhancement of the electric dipole moment of the electron in the BaF molecule

Electronic-structure multiconfiguration calculation of a small cluster embedded in a local-density approximation host

$\mathit{P},\mathit{T}$-Odd Spin-Rotational Hamiltonian for YbF Molecule

A two-step method of calculation of the electronic structure of molecules with heavy atoms: Theoretical aspect

Ab initio calculations of Ag2, Ag2+ with Effective Core Potential: Spectroscopic constants and low-lying electronic states

Self-consistent relativistic effective core potentials for transition metal atoms: Cu, Ag, and Au

Generalized relativistic effective core potential. I. Numerical calculations for atoms Hg through Bi

Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag

Variational principle for transition matrix

Matrix elements of the U(2n) generators in the spin-orbit basis

Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interaction terms for HgF and PbF molecules

Effective core potential for pseudo-orbitals with nodes

Generalized Brillouin Theorem and Calculation of Transition Matrices and Energies for Atoms and Molecules

Calculation of the P- and T-odd spin-rotational Hamiltonian of the PbF molecule

Generalized Brillouin theorem and self-consistent approximation for transition density matrix

EDM of the PbF molecule induced by P,T-nonconcerving neutral current