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Publications Influence

The electronic structure and properties of group 8 oxides MO4, where M=Ru, Os, and Element 108, Hs

- V. Pershina, T. Baştuğ, B. Fricke, S. Varga
- Chemistry
- 2 July 2001

Fully relativistic density functional calculations have been performed for group 8 tetroxides MO4, where M=Ru, Os, and element 108, Hs. The electronic structure analysis has shown HsO4 to be very… Expand

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Intermetallic compounds of the heaviest elements: the electronic structure and bonding of dimers of element 112 and its homolog Hg

- V. Pershina, T. Baştuğ, T. Jacob, B. Fricke, Sándor Varga
- Chemistry
- 28 October 2002

Abstract Fully relativistic (four-component) density-functional calculations were performed for the element 112 dimers (112)X (X = Pd, Cu, Ag and Au) and those of its lighter homolog, Hg. A… Expand

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Theoretical Estimates of Redox Potentials for Group 6 Elements, Including Element 106, Seaborgium, in Acid Solutions

- V. Pershina, E. Johnson, B. Fricke
- Chemistry
- 4 October 1999

Standard reduction potentials for group 6 elements, including element 106 (Sg), in acid solutions have been estimated on the basis of ionization potentials calculated using the multiconfiguration… Expand

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Ionization potentials and electron affinities of the superheavy elements 115-117 and their sixth-row homologues Bi, Po, and At

- A. Borschevsky, L. Pašteka, V. Pershina, E. Eliav, U. Kaldor
- Physics
- 5 February 2015

Calculationsofthefirstandsecondionizationpotentialsandelectronaffinitiesofsuperheavyelements115‐117 are presented. The calculations are performed in the framework of the Dirac-Coulomb Hamiltonian,… Expand

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Ab initio predictions of atomic properties of element 120 and its lighter group-2 homologues

- A. Borschevsky, V. Pershina, E. Eliav, U. Kaldor
- Physics
- 4 February 2013

The ionization potentials, excitation energies, and electron affinity of superheavy element 120 and the polarizabilities of its neutral and ionized states are calculated. Relativity is treated within… Expand

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Total Energy Calculations of RfCl4 and Homologues in the Framework of Relativistic Density Functional Theory

- S. Varga, B. Fricke, A. M. Hirata, T. Baştuğ, V. Pershina, S. Fritzsche
- Chemistry
- 16 June 2000

Calculations of total and binding energies of group IV tetrachlorides MCl4 (M = Ti, Zr, Hf, and element 104, Rf) were performed using the four-component fully relativistic density functional method.… Expand

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Fully relativistic density-functional-theory calculations of the electronic structures of MO 4 ( M=Ru , Os, and element 108, Hs) and prediction of physisorption

- V. Pershina, J. Antón, T. Jacob
- Physics
- 18 September 2008

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Relativistic effects in physics and chemistry of element 105. III. Electronic structure of hahnium oxyhalides as analogs of group 5 elements oxyhalides

- V. Pershina, W. Sepp, T. Baştuğ, B. Fricke, G. Ionova
- Physics
- 15 July 1992

Electronic structures of MOCl3 and MOBr3 molecules, where M=V, Nb, Ta, Pa, and element 105, hahnium, have been calculated using the relativistic Dirac–Slater discrete‐variational method. The… Expand

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Ionization potentials and radii of neutral and ionized species of elements 107 (bohrium) and 108 (hassium) from extended multiconfiguration Dirac–Fock calculations

- E. Johnson, B. Fricke, T. Jacob, C. Dong, S. Fritzsche, V. Pershina
- Chemistry
- 22 January 2002

Large multiconfiguration Dirac–Fock calculations were performed for all neutral and up to 7 and 8 times ionized species of elements 107 and 108, respectively, as well as all the homologous elements… Expand

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Relativistic effects in physics and chemistry of element 105. IV. Their influence on the electronic structure and related properties

- V. Pershina, B. Fricke
- Physics
- 15 December 1993

Results of relativistic (Dirac–Slater and Dirac–Fock) and nonrelativistic (Hartree–Fock–Slater) atomic and molecular calculations have been compared for the group 5 elements Nb, Ta, and Ha and their… Expand

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