46 citations · 82 across the 2 of their papers we have counts for
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physics.chem-ph2010★ 46 cited
Accurate interaction energies at DFT level by means of an efficient dispersion correction
Alisa Krishtal, Kenno Vannomeslaeghe, András Olasz +3
This paper presents an approach for obtaining accurate interaction energies at the DFT level for systems where dispersion interactions are important. This approach combines Becke a…
physics.chem-ph2010★ 36 cited
Local softness, softness dipole and polarizabilities of functional groups: application to the side chains of the twenty amino acids
Alisa Krishta, Patrick Senet, Christian Van Alsenoy
The values of molecular polarizabilities and softnesses of the twenty amino acids were computed ab initio (MP2). By using the iterative Hirshfeld scheme to partition the molecular…