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List of works by Oleksandr A Loboda

Ab initio calculations of zero-field splitting parameters

Ab initio calculations of zero-field splitting parameters in linear polyacenes

Ab initio study of nonhomogeneous broadening of the zero-field splitting of triplet guest molecules in diluted glasses

Development of Embedded and Performance of Density Functional Methods for Molecular Crystals

scientific article published on 21 December 2017

Dipole and quadrupole polarizabilities of the water molecule as a function of geometry

scientific article published on 29 June 2016

Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+

scientific article published on 14 October 2010

Electronic contributions to linear and nonlinear electric properties in fullerene-based molecular systems

Geometry-dependent atomic multipole models for the water molecule

scientific article published in October 2017

Geometry-dependent distributed polarizability models for the water molecule

scientific article published on 01 January 2016

Isomerization of free base porphyrin. Theoretical study

scientific article published on 18 October 2007

Linear and nonlinear optical properties of [60]fullerene derivatives.

scientific article published on 15 January 2009

Linear and nonlinear optical properties of triphenylamine-functionalized C60: insights from theory and experiment.

scientific article

Physical properties and spectra of IO, IO- and HOI studied by ab initio methods

scientific article published on 01 March 2002

Revealing water's secrets: deuterium depleted water

scientific article published on 17 June 2013

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