| 1 |
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts
Jedwabny W, Dyguda-Kazimierowicz E, Pernal K, Szalewicz K, Patkowski K
Journal of Physical Chemistry A, 125(8), 1787, 2021 |
| 2 |
Structural and Optical Properties of Struvite. Elucidating Structure of Infrared Spectrum in High Frequency Range
Sidorczuk D, Kozanecki M, Civalleri B, Pernal K, Prywer J
Journal of Physical Chemistry A, 124(42), 8668, 2020 |
| 3 |
Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit: A close agreement
Gritsenko OV, van Meer R, Pernal K
Chemical Physics Letters, 716, 227, 2019 |
| 4 |
Unoccupied natural orbitals in two-electron Coulombic systems
Cioslowski J, Pernal K
Chemical Physics Letters, 430(1-3), 188, 2006 |
| 5 |
Ionization potentials from the extended Koopmans' theorem applied to density matrix functional theory
Pernal K, Cioslowski J
Chemical Physics Letters, 412(1-3), 71, 2005 |
| 6 |
Phase dilemma in density matrix functional theory
Pernal K, Cioslowski J
Journal of Chemical Physics, 120(13), 5987, 2004 |
| 7 |
Size versus volume extensivity of a new class of density matrix functionals
Cioslowski J, Pernal K
Journal of Chemical Physics, 120(22), 10364, 2004 |
| 8 |
Endohedral motions inside capped single-walled carbon nanotubes
Cioslowski J, Rao N, Pernal K, Moncrieff D
Journal of Chemical Physics, 118(10), 4456, 2003 |
| 9 |
Three electrons in a harmonic oscillator potential: Pairs versus single particles
Taut M, Pernal K, Cioslowski J, Staemmler V
Journal of Chemical Physics, 118(11), 4861, 2003 |
| 10 |
Approximate one-matrix functionals for the electron-electron repulsion energy from geminal theories
Cioslowski J, Pernal K, Buchowiecki M
Journal of Chemical Physics, 119(13), 6443, 2003 |
