| Quantitative classification of covalent and noncovalent H-bonds SJ Grabowski, WA Sokalski, E Dyguda, J Leszczyński The Journal of Physical Chemistry B 110 (13), 6444-6446, 2006 | 262 | 2006 |
| Double-proton transfer in adenine− thymine and guanine− cytosine base pairs. A post-hartree− fock ab initio study L Gorb, Y Podolyan, P Dziekonski, WA Sokalski, J Leszczynski Journal of the American Chemical Society 126 (32), 10119-10129, 2004 | 257 | 2004 |
| Cumulative atomic multipole representation of the molecular charge distribution and its basis set dependence WA Sokalski, RA Poirier Chemical Physics Letters 98 (1), 86-92, 1983 | 220 | 1983 |
| An efficient procedure for decomposition of the SCF interaction energy into components with reduced basis set dependence WA Sokalski, S Roszak, K Pecul Chemical physics letters 153 (2-3), 153-159, 1988 | 207 | 1988 |
| How Short Can the H⊙⊙⊙ H Intermolecular Contact Be? New Findings that Reveal the Covalent Nature of Extremely Strong Interactions SJ Grabowski, WA Sokalski, J Leszczynski The Journal of Physical Chemistry A 109 (19), 4331-4341, 2005 | 203 | 2005 |
| Differential transition-state stabilization in enzyme catalysis: quantum chemical analysis of interactions in the chorismate mutase reaction and prediction of the optimal … B Szefczyk, AJ Mulholland, KE Ranaghan, WA Sokalski Journal of the American Chemical Society 126 (49), 16148-16159, 2004 | 131 | 2004 |
| Correlated molecular and cumulative atomic multipole moments WA Sokalski, A Sawaryn The Journal of chemical physics 87 (1), 526-534, 1987 | 128 | 1987 |
| Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction KE Ranaghan, L Ridder, B Szefczyk, WA Sokalski, JC Hermann, ... Organic & biomolecular chemistry 2 (7), 968-980, 2004 | 126 | 2004 |
| Nature of X−H+δ···-δH−Y Dihydrogen Bonds and X−H···σ Interactions SJ Grabowski, WA Sokalski, J Leszczynski The Journal of Physical Chemistry A 108 (27), 5823-5830, 2004 | 110 | 2004 |
| The Possible Covalent Nature of N− H⊙⊙⊙ O Hydrogen Bonds in Formamide Dimer and Related Systems: An Ab Initio Study SJ Grabowski, WA Sokalski, J Leszczynski The Journal of Physical Chemistry A 110 (14), 4772-4779, 2006 | 108 | 2006 |
| Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect WA Sokalski, S Roszak, PC Hariharan, JJ Kaufman International Journal of Quantum Chemistry 23 (3), 847-854, 1983 | 99 | 1983 |
| Efficient techniques for the decomposition of intermolecular interaction energy at SCF level and beyond WA Sokalski, SM Roszak Journal of Molecular Structure: THEOCHEM 234, 387-400, 1991 | 93 | 1991 |
| Insights into enzyme catalysis from QM/MM modelling: transition state stabilization in chorismate mutase KE Ranaghan, L Ridder, B Szefczyk, WA Sokalski, JC Hermann, ... Molecular Physics 101 (17), 2695-2714, 2003 | 90 | 2003 |
| Wide spectrum of H⋯ H interactions: van der Waals contacts, dihydrogen bonds and covalency SJ Grabowski, WA Sokalski, J Leszczynski Chemical Physics 337 (1-3), 68-76, 2007 | 81 | 2007 |
| Is a π···H+···π Complex Hydrogen Bonded? SJ Grabowski, WA Sokalski, J Leszczynski The Journal of Physical Chemistry A 108 (10), 1806-1812, 2004 | 79 | 2004 |
| A self-consistent field interaction energy decomposition study of 12 hydrogen-bonded dimers WA Sokalski, PC Hariharan, JJ Kaufman The Journal of Physical Chemistry 87 (15), 2803-2810, 1983 | 68 | 1983 |
| Computational Study of the Deamination Reaction of Cytosine with H2O and OH- MH Almatarneh, CG Flinn, RA Poirier, WA Sokalski The Journal of Physical Chemistry A 110 (26), 8227-8234, 2006 | 67 | 2006 |
| Synthesis, and cytotoxic activity of some novel indolo [2, 3-b] quinoline derivatives: DNA topoisomerase II inhibitors Ł Kaczmarek, W Peczyńska-Czoch, J Osiadacz, M Mordarski, ... Bioorganic & medicinal chemistry 7 (11), 2457-2464, 1999 | 67 | 1999 |
| Can H… σ, π… H+… σ and σ… H+… σ interactions be classified as H-bonded? SJ Grabowski, WA Sokalski, J Leszczynski Chemical physics letters 432 (1-3), 33-39, 2006 | 66 | 2006 |
| Optimal methods for calculation of the amount of intermolecular electron transfer B Szefczyk, WA Sokalski, J Leszczynski The Journal of chemical physics 117 (15), 6952-6958, 2002 | 66 | 2002 |