| 1 |
Estimation, computation, and experimental correction of molecular zero-point vibrational energies
Csonka GI, Ruzsinszky A, Perdew JP
Journal of Physical Chemistry A, 109(30), 6779, 2005 |
| 2 |
Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules
Ruzsinszky A, Perdew JP, Csonka GI
Journal of Physical Chemistry A, 109(48), 11006, 2005 |
| 3 |
Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics
Ruzsinszky A, Perdew JP, Csonka GI
Journal of Physical Chemistry A, 109(48), 11015, 2005 |
| 4 |
Proper Gaussian basis sets for density functional studies of water dimers and trimers
Csonka GI, Ruzsinszky A, Perdew JP
Journal of Physical Chemistry B, 109(46), 21471, 2005 |
| 5 |
Implicit zero-point vibration energy and thermal corrections in rapid estimation of enthalpies of formation from Hartree-Fock total energy and partial charges
Ruzsinszky A, Van Alsenoy C, Csonka GL
Journal of Physical Chemistry A, 107(5), 736, 2003 |
| 6 |
Rapid estimation of zero-point energies of molecules using Hartree-Fock atomic partial charges
Ruzsinszky A, Kristyan S, Margitfalvi JL, Csonka GI
Journal of Physical Chemistry A, 107(11), 1833, 2003 |
| 7 |
Rapid estimation of enthalpies of formation from Hartree-Fock total energy and partial charges for compounds containing Si, S, and Cl atoms
Ruzsinszky A, Csonka GI
Journal of Physical Chemistry A, 107(41), 8687, 2003 |
| 8 |
Optimal selection of partial charge calculation method for rapid estimation of enthalpies of formation from Hartree-fock total energy
Ruzsinszky A, Van Alsenoy C, Csonka GI
Journal of Physical Chemistry A, 106(50), 12139, 2002 |
| 9 |
Reproducing Gaussian-3 total energy using fitted atomic correlation parameters for the rapid estimation of correlation energy from partial charges method and Hartree-Fock results
Kristyan S, Ruzsinszky A, Csonka GI
Journal of Physical Chemistry A, 105(10), 1926, 2001 |
