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Vladimir G. Malkin

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Journal Articles

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2014
[j4]
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  - journals/jcc/HrdaKRNMM14
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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): 1725-1737 (2014)
2002
[j3]
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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): 794-803 (2002)
1999
[j2]
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Michael Bühl, Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin:
The DFT route to NMR chemical shifts. J. Comput. Chem. 20(1): 91-105 (1999)
[j1]
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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): 1304-1313 (1999)

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