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Vladimir G. Malkin
ORCID
Publication Activity (10 Years)
Years Active: 1999-2014
Publications (10 Years): 0
Top Topics
Iterative Procedure
Vlsi Implementation
Recursive Algorithm
Simulated Annealing
Top Venues
J. Comput. Chem.
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Publications
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Marcela Hrdá
,
Tomás Kulich
,
Michal Repiský
,
Jozef Noga
,
Olga L. Malkina
,
Vladimir G. Malkin
Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.
J. Comput. Chem.
35 (23) (2014)
Martin Kaupp
,
Roman Reviakine
,
Olga L. Malkina
,
Alexei Arbuznikov
,
Bernd Schimmelpfennig
,
Vladimir G. Malkin
Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators.
J. Comput. Chem.
23 (8) (2002)
Martin Kaupp
,
Olga L. Malkina
,
Vladimir G. Malkin
The role of -type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn (n=0, 2, 4, 6).
J. Comput. Chem.
20 (12) (1999)
Michael Bühl
,
Martin Kaupp
,
Olga L. Malkina
,
Vladimir G. Malkin
The DFT route to NMR chemical shifts.
J. Comput. Chem.
20 (1) (1999)