| 1 |
Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional Theory
Ni ZG, Wolinski K, Pulay P
Journal of Physical Chemistry A, 121(1), 348, 2017 |
| 2 |
Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities
Janowski T, Wolinski K, Pulay P
Chemical Physics Letters, 530, 1, 2012 |
| 3 |
An efficient atomic orbital based second-order Moller-Plesset gradient program
Saebo S, Baker J, Wolinski K, Pulay P
Journal of Chemical Physics, 120(24), 11423, 2004 |
| 4 |
Second-order Moller-Plesset calculations with dual basis sets
Wolinski K, Pulay P
Journal of Chemical Physics, 118(21), 9497, 2003 |
| 5 |
Reply to the comments on'Efficient calculation of canonical MP2 energies' by A. Kohn and C. Hattig
Pulay P, Baker J, Wolinski K
Chemical Physics Letters, 358(3-4), 354, 2002 |
| 6 |
Relationship between magnetic shielding and magnetizability
Janowski T, Wolinski K
Journal of Chemical Physics, 117(5), 1994, 2002 |
| 7 |
Efficient calculation of canonical MP2 energies
Pulay P, Saebo S, Wolinski K
Chemical Physics Letters, 344(5-6), 543, 2001 |
| 8 |
GIAO nuclear magnetic shielding tensors in free base porphyrin and in magnesium and zinc metalloporphyrins
Kozlowski PM, Wolinski K, Pulay P, Ye BH, Li XY
Journal of Physical Chemistry A, 103(3), 420, 1999 |
| 9 |
Magnetic Shielding Surface in Molecules - Neutron as a Probe in the Hypothetical Magnetic-Resonance Spectroscopy
Wolinski K
Journal of Chemical Physics, 106(14), 6061, 1997 |
| 10 |
Comparison of NMR Shieldings Calculated from Hartree-Fock and Density-Functional Wave-Functions Using Gauge-Including Atomic Orbitals
Rauhut G, Puyear S, Wolinski K, Pulay P
Journal of Physical Chemistry, 100(15), 6310, 1996 |
