Scholars@Duke

• Expertise
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  Subject Headings

  • Chemistry, Physical and Theoretical
  • Computer Security
  • Computer Simulation
  • Computer Systems
• Publications & Artistic Works
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  Selected Publications

  • Academic Articles

    • Tavares Pereira, Miguel, Aykut Gram, Renata Nowaczyk, Alois Boos, Bernd Hoffmann, Tomasz Janowski, and Mariusz P. Kowalewski. “Prostaglandin-mediated effects in early canine corpus luteum: In vivo effects on vascular and immune factors.” Reproductive Biology 19, no. 1 (March 28, 2019): 100–111. https://doi.org/10.1016/j.repbio.2019.02.001.
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    • Janowski, T., K. Wolinski, and P. Pulay. “Efficient calculation of the density response function from generalized polarizabilities.” Theoretical Chemistry Accounts 135, no. 1 (January 1, 2016): 1–6. https://doi.org/10.1007/s00214-015-1761-0.
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    • Keller, S., K. Boguslawski, T. Janowski, M. Reiher, and P. Pulay. “Selection of active spaces for multiconfigurational wavefunctions.” Journal of Chemical Physics 142, no. 24 (June 28, 2015). https://doi.org/10.1063/1.4922352.
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    • Bauer, Ryan, Katarzyna Janowska, Kelly Taylor, Brad Jordan, Steve Gann, Tomasz Janowski, Ethan C. Latimer, Osamu Matsushita, and Joshua Sakon. “Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.” Acta Crystallographica. Section D, Biological Crystallography 71, no. Pt 3 (March 2015): 565–77. https://doi.org/10.1107/s1399004714027722.
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    • Janowski, T. “Near equivalence of intrinsic atomic orbitals and quasiatomic orbitals.” Journal of Chemical Theory and Computation 10, no. 8 (August 12, 2014): 3085–91. https://doi.org/10.1021/ct500245f.
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    • Sedlak, R., T. Janowski, M. Pitoňák, J. Řezáč, P. Pulay, and P. Hobza. “Accuracy of quantum chemical methods for large noncovalent complexes.” Journal of Chemical Theory and Computation 9, no. 8 (August 13, 2013): 3364–74. https://doi.org/10.1021/ct400036b.
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    • Janowski, Tomasz, and Peter Pulay. “A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.” Journal of the American Chemical Society 134, no. 42 (October 9, 2012): 17520–25. https://doi.org/10.1021/ja303676q.
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    • Janowski, T., K. Wolinski, and P. Pulay. “Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities.” Chemical Physics Letters 530 (March 19, 2012): 1–9. https://doi.org/10.1016/j.cplett.2012.01.008.
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    • Baker, J., T. Janowski, K. Wolinski, and P. Pulay. “Recent developments in the PQS program.” Wiley Interdisciplinary Reviews: Computational Molecular Science 2, no. 1 (January 1, 2012): 63–72. https://doi.org/10.1002/wcms.80.
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    • Janowski, T., and P. Pulay. “A benchmark quantum chemical study of the stacking interaction between larger polycondensed aromatic hydrocarbons.” Theoretical Chemistry Accounts 130, no. 2–3 (October 1, 2011): 419–27. https://doi.org/10.1007/s00214-011-1009-6.
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    • Janowski, T., P. Pulay, A. A. Sasith Karunarathna, A. Sygula, and S. Saebø. “Convex-concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer.” Chemical Physics Letters 512, no. 4–6 (August 25, 2011): 155–60. https://doi.org/10.1016/j.cplett.2011.07.030.
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    • Langner, K. M., T. Janowski, R. W. Góra, P. Dziekoński, W. A. Sokalski, and P. Pulay. “The ethidium-UA/AU intercalation site: Effect of model fragmentation and backbone charge state.” Journal of Chemical Theory and Computation 7, no. 8 (August 9, 2011): 2600–2609. https://doi.org/10.1021/ct200121f.
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    • Bates, Desiree M., Joshua R. Smith, Tomasz Janowski, and Gregory S. Tschumper. “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).” The Journal of Chemical Physics 135, no. 4 (July 2011): 044123. https://doi.org/10.1063/1.3609922.
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    • Domoslawska, A., A. Jurczak, and T. Janowski. “A one-foetus pregnancy monitored by ultrasonography and progesterone blood levels in a German Shepherd bitch: A case report.” Veterinarni Medicina 56, no. 1 (January 1, 2011): 55–57. https://doi.org/10.17221/1567-VETMED.
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    • Janowski, T., A. R. Ford, and P. Pulay. “Accurate correlated calculation of the intermolecular potential surface in the coronene dimer.” Molecular Physics 108, no. 3–4 (April 26, 2010): 249–57. https://doi.org/10.1080/00268970903397249.
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    • Pitoňák, M., T. Janowski, P. Neogrády, P. Pulay, and P. Hobza. “Convergence of the CCSD(T) correction term for the stacked complex methyl adenine-methyl thymine: Comparison with lower-cost alternatives.” Journal of Chemical Theory and Computation 5, no. 7 (July 14, 2009): 1761–66. https://doi.org/10.1021/ct900126q.
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    • Pulay, P., and T. Janowski. “Efficient calculation of the energy of a molecule in an arbitrary electric field.” International Journal of Quantum Chemistry 109, no. 10 (July 9, 2009): 2113–20. https://doi.org/10.1002/qua.22064.
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    • Baker, J., K. Wolinski, M. Malagoli, D. Kinghorn, P. Wolinski, G. Magyarfalvi, S. Saebo, T. Janowski, and P. Pulay. “Quantum chemistry in parallel with PQS.” Journal of Computational Chemistry 30, no. 2 (January 30, 2009): 317–35. https://doi.org/10.1002/jcc.21052.
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    • Janowski, T., and P. Pulay. “Efficient parallel implementation of the CCSD external exchange operator and the perturbative triples (T) Energy calculation.” Journal of Chemical Theory and Computation 4, no. 10 (October 14, 2008): 1585–92. https://doi.org/10.1021/ct800142f.
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    • Janowski, T., and P. Pulay. “High accuracy benchmark calculations on the benzene dimer potential energy surface.” Chemical Physics Letters 447, no. 1–3 (October 15, 2007): 27–32. https://doi.org/10.1016/j.cplett.2007.09.003.
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    • Janowski, T., A. R. Ford, and P. Pulay. “Parallel calculation of coupled cluster singles and doubles wave functions using array files.” Journal of Chemical Theory and Computation 3, no. 4 (July 1, 2007): 1368–77. https://doi.org/10.1021/ct700048u.
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    • Ford, A. R., T. Janowski, and P. Pulay. “Array files for computational chemistry: MP2 energies.” Journal of Computational Chemistry 28, no. 7 (May 1, 2007): 1215–20. https://doi.org/10.1002/jcc.20630.
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    • Borowski, P., J. Jaroniec, T. Janowski, and K. WoliŃSki. “Quantum cluster equilibrium theory treatment of hydrogen-bonded liquids: Water, methanol and ethanol.” Molecular Physics 101, no. 10 (January 1, 2003): 1413–21. https://doi.org/10.1080/0026897031000085083.
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    • Janowski, T., and M. Jaszuski. “Ab initio calculations of the NMR properties of the NH3 ⋯ H2O complex.” International Journal of Quantum Chemistry 90, no. 3 (November 5, 2002): 1083–90. https://doi.org/10.1002/qua.10225.
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    • Janowski, T., and K. Woliński. “Relationship between magnetic shielding and magnetizability.” Journal of Chemical Physics 117, no. 5 (August 1, 2002): 1994–2002. https://doi.org/10.1063/1.1486211.
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  • Conference Papers

    • Janowski, T., and P. Pulay. “Efficient calculation of the perturbational triples contributions in coupled cluster theory.” In Aip Conference Proceedings, 1642:176–77, 2015. https://doi.org/10.1063/1.4906644.
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