2010-
231.
S. Zhang, J. Baker, P. Pulay, A
reliable and efficient first principles-based method for predicting pKa value. 1. Methodology, J. Phys. Chem. A 2010, 114, 425-431.
232.
S. Zhang, J. Baker, P. Pulay, A
reliable and efficient first principles-based method for predicting pKa value. 2. Organic Acids, J. Phys. Chem. A 2010, 114, 432-442.
233.
T. Janowski, A. R. Ford, P. Pulay, Accurate
correlated calculation of the intermolecular potential surface in the coronene dimer, Mol. Phys. 2010, 108, 249-257
(invited, Hirao volume).
234.
K. M. Langner, T. Janowski, Tomasz;
R. W. Gora, P. Dziekonski,
W. A.; Sokalski, P.
Pulay, The Ethidium-UA/AU Intercalation Site: Effect of Model
Fragmentation and Backbone Charge State, J. Chem. Theory
Comput. 2011, 7, 2600-2609.
235.
T. Janowski,P. Pulay, A. A. Karunarathna,
A. Sygula, S. Saebo, Convex-concave stacking of
curved conjugated networks: Benchmark calculations on the corannulene
dimer, Chem. Phys. Lett. 2011, 512,
155-160.
236.
P. Pulay, A perspective on the
CAS-PT2 method, Intern. J. Quantum Chem. 2011, 111, 3273-3279.
237.
Baker, J.;
Janowski, T.; Wolinski, K.; Pulay, P. “Recent Developments in PQS”, Wiley Interdisciplinary
Reviews: Computational Molecular Science, WIREs Comput Mol Sci 2012, 2, 63-72 DOI: 10.1002/wcms.80.
238.
Pulay, P.
“Plane-wave Based Low-Scaling Electronic Structure Methods for molecules”, In Zalesny, R.; Papadopoulos, M. G.; Mezey, P. G.; Leszczynski, J. (eds.), Linear-Scaling Techniques in
Computational Chemistry and Physics, 2011, DOI 10.1007/978-90-481-2853-2_1,
Springer Dordrecht, Heidelberg, London, New York, pp. 1-16.
239.
Janowski,
T.; Pulay, P. “A Benchmark Quantum
Chemical Study of the Stacking Interaction between Larger Polycondensed
Aromatic Hydrocarbons”, Theor. Chem. Acc. 2011, 130, 419-427 (invited, Nagase volume).
240.
Magyarfalvi,
G; Wolinski, K.; Hinton, J.; Pulay, P., “Shielding
Calculations: GIAO Methods”, in Encyclopedia of Magnetic Resonance, Wiley, 2012, 8, 4412-4417, Online
DOI: 10.1002/9780470034590.emrstm0501.pub2, Online ISBN: 9780470034590.
241. Baker, J.; Janowski, T.; Wolinski, K.; Pulay, P. “Recent Developments in the PQS Program”, Wiley interdisciplinary Reviews: Computational Molecular Science 2012, 2, 63-72.
242. Janowski, T.; Wolinski, K.; Pulay, P. "Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities", Chem. Phys. Lett. 2012, 530, 1-9. doi:10.1016/j.cplett.2012.01.008.
243. Janowski, T.; Pulay, P. A Benchmark Comparison of s/s and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronenene and Perhydrocoronene, J. Am. Chem. Soc. 2012, 134, 17520-17525.
244. Sedlak, R.; Janowski, T.; Pitonak, M.; Rezac, J.; Pulay, P.; Hobza, P. Accuracy of Quantum Chemical Methods for large noncovalent Complexes, J. Chem. Theory Comput. 2013, 9, 3364-3374.
245. Pulay, P. Analytical derivatives, forces, force constants, and related response properties in electronic structure theory, Wiley Interdisciplinary Reviews: Computational Molecular Science 2014, 4, 169-181.
246.
Hernandez,
O.; Pulay, P.; Maitre, Ph.;
Paizs, B. Zundel-type H-bonding in Biomolecular Ions,
Journal of the American Society for Mass Spectrometry 2014, 25, 1511-1514.
247.
Pulay, P.; Janowski, T. Efficient calculation of the perturbational triples
contributions in coupled cluster theory, 1642,(2015); http://dx.doi.org/10.1063/1.4906644
248.
Keller, S.; Boguslawski, K.;
Janowski, T.; Reiher, M; Pulay, P. Selection
of active spaces for multiconfigurational wavefunctions, J. Chem. Phys. 142, 244104/1-11 (2015); http://dx.doi.org/10.1063/1.4922352
249.
Janowski,
T.; Wolinski, K.; Pulay, P. Efficient
calculation of the density response function from generalized polarizabilities, Theor. Chem. Acc.
135, 1-6 (2016).
250. Borowski, P.; Gac, W.; Pulay, P.; Wolinski, K. The vibrational spectrum of 1,4-dioxane in aqueous solution - theory and experiment, New Journal of Chemistry, ahead of print (2016).