Wyczyść filtry
  • M. Hapka, M. Przybytek, K. Pernal, Second-Order Exchange-Dispersion Energy Based on a Multireference Description of Monomers, J. Chem. Theory Comput. 15(12), 6712-6723, 2019
     10.1021/acs.jctc.9b00925 
  • E. Pastorczak, M. Hapka, L. Veis, K. Pernal, Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical, J. Phys. Chem. Lett. 10(16), 4668-4674, 2019
     10.1021/acs.jpclett.9b01582 
  • P. A. Guńka, M. Hapka, M. Hanfland, G. Chalasinski, J. Zachara, Toward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure, J. Phys. Chem. C 123(27), 16868-16872, 2019
     10.1021/acs.jpcc.9b04331 
  • K. Jarzembska, M. Hapka, R. Kamiński, W. Bury, S. Kutniewska, D. Szarejko, M. M. Szczesniak, On the Nature of Luminescence Thermochromism of Multinuclear Copper(I) Benzoate Complexes in the Crystalline State, Crystals 9(1), 36, 2019
     10.3390/cryst9010036 
  • M. Hapka, M. Przybytek, K. Pernal, Second-Order Dispersion Energy Based on Multireference Description of Monomers, J. Chem. Theory Comput. 15(2), 1016-1027, 2018
     10.1021/acs.jctc.8b01058 
  • P. A. Guńka, M. Hapka, M. Hanfland, M. Dranka, G. Chalasinski, J. Zachara, How and Why Does Helium Permeate Nonporous Arsenolite Under High Pressure?, Chemphyschem 19(7), 857-864, 2018
     10.1002/cphc.201701156 
  • E. Pastorczak, J. Shen, M. Hapka, P. Piecuch, K. Pernal, Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches, J. Chem. Theory Comput. 13(11), 5404-5419, 2017
     10.1021/acs.jctc.7b00797 
  • M. Hapka, Ł. Rajchel, M. Modrzejewski, R. Schäffer, G. Chalasinski, M. M. Szczesniak, The nature of three-body interactions in DFT: Exchange and polarization effects, J. Chem. Phys. 147(8), 084106, 2017
     10.1063/1.4986291 
  • J. Kłos, M. Hapka, G. Chalasinski, P. Halvick, T. Stoecklin, Theoretical study of the buffer-gas cooling and trapping of CrH(X<sup>6</sup>Σ<sup>+</sup>) by<sup>3</sup>He atoms, J. Chem. Phys. 145(21), 214305, 2016
     10.1063/1.4968529 
  • K. Jachymski, M. Hapka, J. Jankunas, A. Osterwalder, Experimental and Theoretical Studies of Low‐Energy Penning Ionization of NH <sub>3</sub> , CH <sub>3</sub> F, and CHF <sub>3</sub>, Chemphyschem 17(22), 3776-3782, 2016
     10.1002/cphc.201600608 
  • S. Yourdkhani, M. Chojecki, M. Hapka, T. Korona, Interaction of Boron–Nitrogen Doped Benzene Isomers with Water, J. Phys. Chem. A 120(31), 6287-6302, 2016
     10.1021/acs.jpca.6b05248 
  • M. Modrzejewski, M. Hapka, G. Chalasinski, M. M. Szczesniak, Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions, str. 3662-3673, Lipiec 2016
     10.1021/acs.jctc.6b00406 
  • J. Jankunas, K. Jachymski, M. Hapka, A. Osterwalder, Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF<sub>3</sub>, J. Chem. Phys. 144(22), 221102, 2016
     10.1063/1.4953908 
  • J. Jankunas, K. Jachymski, M. Hapka, A. Osterwalder, Observation of orbiting resonances in He(<sup>3</sup>S<sub>1</sub>) + NH<sub>3</sub>Penning ionization, J. Chem. Phys. 142(16), 164305, 2015
     10.1063/1.4919369 
  • M. Hapka, M. Dranka, K. Orłowska, G. Chalasinski, M. M. Szczesniak, J. Zachara, Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands, str. 13641-13650, 2015
     10.1039/c5dt01627d 
  • M. Hapka, Ł. Rajchel, M. Modrzejewski, G. Chalasinski, M. M. Szczesniak, Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory, J. Chem. Phys. 141(13), 134120, 2014
     10.1063/1.4896608 
  • J. Jankunas, B. Bertsche, K. Jachymski, M. Hapka, A. Osterwalder, Dynamics of gas phase Ne<sup>*</sup> + NH<sub>3</sub> and Ne<sup>*</sup> + ND<sub>3</sub> Penning ionisation at low temperatures, J. Chem. Phys. 140(24), 244302, 2014
     10.1063/1.4883517 
  • J. V. Koppen, M. Hapka, M. Modrzejewski, M. M. Szczesniak, G. Chalasinski, Density functional theory approach to gold-ligand interactions: Separating true effects from artifacts, J. Chem. Phys. 140(24), 244313, 2014
     10.1063/1.4885137 
  • M. Hapka, J. Kłos, T. Korona, G. Chalasinski, Theoretical Studies of Potential Energy Surface and Bound States of the Strongly Bound He(<sup>1</sup>S)–BeO (<sup>1</sup>Σ<sup>+</sup>) Complex, J. Phys. Chem. A 117(30), 6657-6663, 2013
     10.1021/jp404467b 
  • M. Hapka, G. Chalasinski, J. Kłos, P. S. Żuchowski, First-principle interaction potentials for metastable He(<sup>3</sup>S) and Ne(<sup>3</sup>P) with closed-shell molecules: Application to Penning-ionizing systems, J. Chem. Phys. 139(1), 014307, 2013
     10.1063/1.4812182