Vladimir G. Malkin

An Evaluation of the Aromaticity of Inorganic Rings:  Refined Evidence from Magnetic Properties

Paul von Ragué Schleyer, Haijun Jiao, Nicolaas J. R. van Eikema Hommes et al. · Journal of the American Chemical Society · 1997 · 969 citations

Materials Science, Inorganic Chemistry, Magnetism +12

Nuclear Magnetic Resonance Shielding Tensors Calculated with a Sum-over-States Density Functional Perturbation Theory

Vladimir G. Malkin, Olga L. Malkina, Mark E. Casida et al. · Journal of the American Chemical Society · 1994 · 469 citations

Molecular Sciences, Engineering, Nuclear Physics +15

How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds

Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin et al. · Chemistry - A European Journal · 1998 · 343 citations

Engineering, Spin Systems, Spin Textures +20

The DFT route to NMR chemical shifts

Michael B�hl, Martin Kaupp, Olga L. Malkina et al. · Journal of Computational Chemistry · 1999 · 270 citations

Theoretical Inorganic Chemistry, Magnetic Resonance Spectroscopy, Natural Sciences +15

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac–Kohn–Sham equation

Stanislav Komorovský, Michal Repiský, Olga L. Malkina et al. · The Journal of Chemical Physics · 2008 · 234 citations