| Accuracy of quantum chemical methods for large noncovalent complexes R Sedlak, T Janowski, M Pitonak, J Rezac, P Pulay, P Hobza Journal of chemical theory and computation 9 (8), 3364-3374, 2013 | 340 | 2013 |
| High accuracy benchmark calculations on the benzene dimer potential energy surface T Janowski, P Pulay Chemical Physics Letters 447 (1-3), 27-32, 2007 | 308 | 2007 |
| Selection of active spaces for multiconfigurational wavefunctions S Keller, K Boguslawski, T Janowski, M Reiher, P Pulay The Journal of chemical physics 142 (24), 244104, 2015 | 121 | 2015 |
| A Benchmark Comparison of σ/σ and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene T Janowski, P Pulay Journal of the American Chemical Society 134 (42), 17520-17525, 2012 | 108 | 2012 |
| Quantum chemistry in parallel with PQS J Baker, K Wolinski, M Malagoli, D Kinghorn, P Wolinski, G Magyarfalvi, ... Journal of Computational Chemistry 30 (2), 317-335, 2009 | 106 | 2009 |
| Accurate correlated calculation of the intermolecular potential surface in the coronene dimer T Janowski, AR Ford, P Pulay Molecular Physics 108 (3-4), 249-257, 2010 | 88 | 2010 |
| Development of a 3-body:many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O)n = 3 − 10, 16, 17 DM Bates, JR Smith, T Janowski, GS Tschumper The Journal of chemical physics 135 (4), 044123, 2011 | 80 | 2011 |
| Parallel calculation of coupled cluster singles and doubles wave functions using array files T Janowski, AR Ford, P Pulay Journal of Chemical Theory and Computation 3 (4), 1368-1377, 2007 | 76 | 2007 |
| Convex–concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer T Janowski, P Pulay, AAS Karunarathna, A Sygula, S Saebø Chemical Physics Letters 512 (4-6), 155-160, 2011 | 75 | 2011 |
| Efficient parallel implementation of the CCSD external exchange operator and the perturbative triples (T) energy calculation T Janowski, P Pulay Journal of Chemical Theory and Computation 4 (10), 1585-1592, 2008 | 72 | 2008 |
| Convergence of the CCSD (T) correction term for the stacked complex methyl adenine− methyl thymine: comparison with lower-cost alternatives M Pitonak, T Janowski, P Neogrády, P Pulay, P Hobza Journal of Chemical Theory and Computation 5 (7), 1761-1766, 2009 | 68 | 2009 |
| Quantum cluster equilibrium theory treatment of hydrogen-bonded liquids: Water, methanol and ethanol P Borowski, J Jaroniec, T Janowski, K Woliński Molecular Physics 101 (10), 1413-1421, 2003 | 43 | 2003 |
| Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH R Bauer, K Janowska, K Taylor, B Jordan, S Gann, T Janowski, ... Acta Crystallographica Section D: Biological Crystallography 71 (3), 565-577, 2015 | 31 | 2015 |
| Near equivalence of intrinsic atomic orbitals and quasiatomic orbitals T Janowski Journal of Chemical Theory and Computation 10 (8), 3085-3091, 2014 | 31 | 2014 |
| Array files for computational chemistry: MP2 energies AR Ford, T Janowski, P Pulay Journal of Computational Chemistry 28 (7), 1215-1220, 2007 | 28 | 2007 |
| Recent developments in the PQS program J Baker, T Janowski, K Wolinski, P Pulay Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (1), 63-72, 2012 | 24 | 2012 |
| A benchmark quantum chemical study of the stacking interaction between larger polycondensed aromatic hydrocarbons T Janowski, P Pulay Theoretical Chemistry Accounts 130 (2), 419-427, 2011 | 20 | 2011 |
| Ultrafast quantum mechanics/molecular mechanics Monte Carlo simulations using generalized multipole polarizabilities T Janowski, K Wolinski, P Pulay Chemical Physics Letters 530, 1-9, 2012 | 19 | 2012 |
| Theoretical determination of the 1H NMR spectrum of ethanol P Borowski, T Janowski, K Wolinski Molecular Physics 98 (17), 1331-1341, 2000 | 19 | 2000 |
| Efficient calculation of the energy of a molecule in an arbitrary electric field P Pulay, T Janowski International Journal of Quantum Chemistry 109 (10), 2113-2120, 2009 | 18 | 2009 |
