#### Filter Results:

- Full text PDF available (9)

#### Publication Year

1996

2017

- This year (1)
- Last 5 years (7)
- Last 10 years (14)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

- Michael BÃ¼hl, Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin
- Journal of Computational Chemistry
- 1999

- Elena Malkin, Michal RepiskÃ½, Stanislav Komorovsky, Pavel Mach, Olga L. Malkina, Vladimir G. Malkin
- The Journal of chemical physics
- 2011

The effect of a finite size model for both the nuclear charge and magnetic moment distributions on calculated EPR hyperfine structure have been studied using a relativistic four-component methodâ€¦ (More)

Our recently developed method for the calculation of indirect nuclear spinâ€“spin coupling constants is studied in more detail. For the couplings between nuclei other than N, O, and F ~which have loneâ€¦ (More)

- Elena Malkin, Irina Malkin, Olga L. Malkina, Vladimir G. Malkin, Martin Kaupp
- Physical chemistry chemical physics : PCCP
- 2006

A scalar relativistic method to calculate hyperfine coupling tensors at the Douglas-Kroll-Hess level has been extended to incorporate a finite-size nucleus model using a Gaussian charge and magneticâ€¦ (More)

- Stanislav Komorovsky, Michal RepiskÃ½, Olga L. Malkina, Vladimir G. Malkin, Irina Malkin, Martin Kaupp
- The Journal of chemical physics
- 2006

A new relativistic two-component density functional approach, based on the Dirac-Kohn-Sham method and an extensive use of the technique of resolution of identity (RI), has been developed and isâ€¦ (More)

- Olga L. Malkina, Bernd Schimmelpfennig, +4 authors Vladimir G. Malkin
- 1998

Å½ . Å½ . A recently developed density functional theory DFT ansatz for the calculation of one-electron spinâ€“orbit SO corrections to NMR chemical shifts has been extended to include two-electron SOâ€¦ (More)

- Oleg V Yazyev, Lothar Helm, Vladimir G. Malkin, Olga L. Malkina
- The journal of physical chemistry. A
- 2005

Hyperfine interactions (HFI) on the nuclei of the first coordination sphere water molecules in a model [Gd(H(2)O)(8)](3+) aqua complex and in the magnetic resonance imaging contrast agentâ€¦ (More)

- Martin Kaupp, Christian Remenyi, Juha Vaara, Olga L. Malkina, Vladimir G. Malkin
- Journal of the American Chemical Society
- 2002

A recently developed density functional approach has been used to carry out a systematic computational study of electronic g-tensors for a series of 1,4-semiquinone radical anions. Good agreementâ€¦ (More)

- Jana ChrappovÃ¡, Peter Schwendt, Michal SivÃ¡k, Michal RepiskÃ½, Vladimir G. Malkin, JaromÃr Marek
- Dalton transactions
- 2009

Two new dinuclear fluoro peroxovanadium(v) complexes, Cs3[V2O2(O2)4F] x H2O (1) and Cs3[V2O2(O2)3F3] x 2HF x H2O (2), were prepared and characterized by elemental analysis, IR spectroscopy, thermalâ€¦ (More)

- Marcela HrdÃ¡, TomÃ¡s Kulich, Michal RepiskÃ½, Jozef Noga, Olga L. Malkina, Vladimir G. Malkin
- Journal of Computational Chemistry
- 2014

A recently developed Thouless-expansion-based diagonalization-free approach for improving the efficiency of self-consistent field (SCF) methods (Noga and Å imunek, J. Chem. Theory Comput. 2010, 6,â€¦ (More)