Perturbation theory approach to intermolecular potential energy surfaces of van der Waals complexes B Jeziorski, R Moszynski, K Szalewicz Chemical Reviews 94 (7), 1887-1930, 1994 | 2914 | 1994 |
Symmetry‐adapted perturbation theory of intermolecular forces K Szalewicz Wiley interdisciplinary reviews: computational molecular science 2 (2), 254-272, 2012 | 641 | 2012 |
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 599 | 2016 |
Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations AJ Misquitta, R Podeszwa, B Jeziorski, K Szalewicz The Journal of chemical physics 123 (21), 2005 | 577 | 2005 |
Predictions of the properties of water from first principles R Bukowski, K Szalewicz, GC Groenenboom, A Van der Avoird Science 315 (5816), 1249-1252, 2007 | 484 | 2007 |
Dispersion energy from density-functional theory description of monomers AJ Misquitta, B Jeziorski, K Szalewicz Physical review letters 91 (3), 033201, 2003 | 446 | 2003 |
Potential energy surface for the benzene dimer and perturbational analysis of π− π interactions R Podeszwa, R Bukowski, K Szalewicz The Journal of Physical Chemistry A 110 (34), 10345-10354, 2006 | 435 | 2006 |
Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers S Rybak, B Jeziorski, K Szalewicz The Journal of chemical physics 95 (9), 6576-6601, 1991 | 382 | 1991 |
Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets T Korona, HL Williams, R Bukowski, B Jeziorski, K Szalewicz The Journal of chemical physics 106 (12), 5109-5122, 1997 | 357 | 1997 |
Theory and application of explicitly correlated Gaussians J Mitroy, S Bubin, W Horiuchi, Y Suzuki, L Adamowicz, W Cencek, ... Reviews of modern physics 85 (2), 693-749, 2013 | 347 | 2013 |
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory R Bukowski, J Sadlej, B Jeziorski, P Jankowski, K Szalewicz, ... The Journal of chemical physics 110 (8), 3785-3803, 1999 | 344 | 1999 |
New Born–Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule W Kol/os, K Szalewicz, HJ Monkhorst The Journal of chemical physics 84 (6), 3278-3283, 1986 | 343 | 1986 |
A theoretical study of the water dimer interaction K Szalewicz, SJ Cole, W Kol/os, RJ Bartlett The Journal of chemical physics 89 (6), 3662-3673, 1988 | 328 | 1988 |
Intermolecular forces from asymptotically corrected density functional description of monomers AJ Misquitta, K Szalewicz Chemical physics letters 357 (3-4), 301-306, 2002 | 321 | 2002 |
Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium W Cencek, M Przybytek, J Komasa, JB Mehl, B Jeziorski, K Szalewicz The Journal of Chemical Physics 136 (22), 2012 | 299 | 2012 |
Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions: the He-He interaction K Szalewicz, B Jeziorski Molecular Physics 38 (1), 191-208, 1979 | 299 | 1979 |
SAPT2012: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies R Bukowski, W Cencek, P Jankowski, M Jeziorska, B Jeziorski, ... University of Delaware and University of Warsaw: http://www.physics.udel.edu …, 2012 | 271* | 2012 |
SAPT2016: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies R Bukowski, W Cencek, P Jankowski, M Jeziorska, B Jeziorski, ... University of Delaware and University of Warsaw: http://www.physics.udel.edu …, 2016 | 259* | 2016 |
On the effectiveness of monomer‐, dimer‐, and bond‐centered basis functions in calculations of intermolecular interaction energies HL Williams, EM Mas, K Szalewicz, B Jeziorski The Journal of chemical physics 103 (17), 7374-7391, 1995 | 253 | 1995 |
SAPT2008: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies R Bukowski, W Cencek, P Jankowski, M Jeziorska, B Jeziorski, ... University of Delaware and University of Warsaw: http://www.physics.udel.edu …, 2008 | 239 | 2008 |