F. Holka

发表

Static electric polarizabilities and first hyperpolarizabilities of molecular ions RgH+ (Rg = He, Ne, Ar, Kr, Xe): ab initio study

J. Sadlej, J. Cukras, A. Antušek, 2009 .

Ab initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE.

V. Sládek, I. Tvaroška, F. Holka, 2015, Physical chemistry chemical physics : PCCP.

Toward an improved ground state potential energy surface of ozone.

V. Tyuterev, P. Szalay, T. Müller, 2010, The journal of physical chemistry. A.

Hartree-fock stability and broken symmetry solutions of O2- and S2-anions in external confinement

M. Urban, J. Paldus, P. Neogrády, 2007 .

Accurate ab initio determination of the adiabatic potential energy function and the Born-Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues.

V. Tyuterev, P. Szalay, K. Peterson, 2011, The Journal of chemical physics.

Are ab initio quantum chemistry methods able to predict vibrational states up to the dissociation limit for multi-electron molecules close to spectroscopic accuracy?

V. Tyuterev, P. Szalay, K. Peterson, 2011, Physical chemistry chemical physics : PCCP.

The (hyper)polarizabilities of AuXeF and XeAuF

M. Papadopoulos, V. Kellö, A. Avramopoulos, 2009 .

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range.

S. Tashkun, V. Tyuterev, P. Szalay, 2013, The Journal of chemical physics.

Polarizabilities of confined two-electron systems: the 2-electron quantum dot, the hydrogen anion, the helium atom and the lithium cation

P. Neogrády, V. Kellö, F. Holka, 2005 .

Absolute shielding scales for Al, Ga, and In and revised nuclear magnetic dipole moments of (27)Al, (69)Ga, (71)Ga, (113)In, and (115)In nuclei.

A. Antušek, F. Holka, 2015, The Journal of chemical physics.

CCSD(T) calculations of confined systems: in-crystal polarizabilities of F⁻, Cl⁻, O²⁻, and S²⁻.

M. Urban, J. Paldus, P. Neogrády, 2014, The Journal of chemical physics.

Vibration energy levels of the PH3, PH2D, and PHD2 molecules calculated from high order potential energy surface.

A. Nikitin, V. Tyuterev, F. Holka, 2009, The Journal of chemical physics.