L. Shirkov

发表

Benchmark CCSD-SAPT study of rare gas dimers with comparison to MP-SAPT and DFT-SAPT.

V. Sládek, L. Shirkov, 2017, The Journal of chemical physics.

Theoretical study of the complexes of dichlorobenzene isomers with argon. II. SAPT analysis of the intermolecular interaction.

J. Makarewicz, L. Shirkov, 2019, The Journal of chemical physics.

Explicitly correlated potential energy surface of the CO2-CO van der Waals dimer and applications.

M. Hochlaf, N. Jaidane, L. Shirkov, 2019, Physical chemistry chemical physics : PCCP.

Theoretical study of the complexes of dichlorobenzene isomers with argon. I. Global potential energy surface for all the isomers with application to intermolecular vibrations.

J. Makarewicz, L. Shirkov, 2019, The Journal of chemical physics.

Character of intermolecular interaction in pyridine-argon complex: Ab initio potential energy surface, internal dynamics, and interrelations between SAPT energy components.

J. Makarewicz, L. Shirkov, 2016, The Journal of chemical physics.

Ab initio relativistic potential energy surface with analytical long-range part of benzene-Rn complex and its application to intermolecular vibrations

V. Sládek, L. Shirkov, 2022, Chemical Physics.

Ab initio relativistic potential energy surfaces of benzene-Xe complex with application to intermolecular vibrations.

V. Sládek, J. Makarewicz, L. Shirkov, 2020, The Journal of chemical physics.

The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex.

J. Makarewicz, L. Shirkov, 2015, The Journal of chemical physics.

Rovibrational interactions in linear triatomic molecules: a theoretical study in curvilinear vibrational coordinates

R. Moszynski, T. Korona, L. Shirkov, 2011, Structural Chemistry.

Does DFT-SAPT method provide spectroscopic accuracy?

J. Makarewicz, L. Shirkov, 2015, The Journal of chemical physics.