JACEK KORCHOWIEC - LISTA PUBLIKACJI



Stachowicz-Kusnierz, A.; Korchowiec, B.; Korchowiec, J.: Charge distributions for molecular dynamics simulations from self-consistent polarization method , Journal of Computational Chemistry, 2020, , .

Mashkovtsev, D.; Mizukami, W.; Korchowiec, J.; Stachowicz-Kusnierz, A.; Aoki, Y.: Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers , Journal of Computational Chemistry, 2020, 41, 2203.

Kwiecinska, K.; Stachowicz-Kusnierz, A.; Jagusiak, A.; Roterman, I.; Korchowiec, J.: Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations , ACS OMEGA, 2020, 5, 19377.

Girardon, M.; Korchowiec, B.; Korchowiec, J.; Rogalska, E.; Canilho, N.; Pasc, A.: A way to introducing a hydrophilic bioactive agent into model lipid membranes. The role of cetyl palmitate in the interaction of curcumin with 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine monolayer, Journal of Molecular Liquids, 2020, 308, 113040.

Stachowicz-Kusnierz, A.; Seidler, T.; Rogalska, E.; Korchowiec, J.; Korchowiec, B.: Lung Surfactant Monolayer a Good Natural Barrier against Dibenzo-P-Dioxins, Chemosphere, 2020, 240, 12.

Korchowiec, B.; Gorczyca, M.; Korchowiec, J.; Rubio-Magnieto, J.; Lotfallah, A.H.; Luis, S.V.; Rogalska, E.: The effect of protonation in a family of peptide based gemini amphiphiles on the interaction in Langmuir films, Journal of Molecular Liquids, 2019, 284, 357-365.

Korchowiec, B.; Stachowicz-Kuśnierz, A.; Korchowiec, J.: The Role of DPPG in Lung Surfactant Exposed to Benzo[a]pyrene, Environmental Science Processes & Impacts, 2019, 21, 438-445.

Stachowicz-Kuśnierz, A.; Cwiklik, L.; Korchowiec, J.; Rogalska, E.; Korchowiec, B.: The impact of lipid oxidation on the functioning of a lung surfactant model, Physical Chemistry Chemical Physics, 2018, 20, 24968-24978.

Korchowiec, B.; Trojan, S.; Joly, J. P.; Korchowiec, J.; Beley, M.; Rogalska, E.: The Interaction of an Amphiphile Crown Ether with Divalent Metal Ions. An Electrochemical, Langmuir Film, and Molecular Modeling Study, Thin Solid Films, 2019, 683, 49-56.

Stachowicz-Kusnierz, A.; Trojan, S.; Cwiklik, L.; Korchowiec, B.; Korchowiec, J.: Modeling Lung Surfactant Interactions with Benzo a pyrene. Chemistry-a European Journal, 2017, 23, 5307-5316.

  1. Korchowiec, B.; Gorczyca, M.; Korchowiec, J.; Rubio-Magnieto, J.; Lotfallah, A. H.; Luis, S. V.; Rogalska, E.: Structure - membrane activity relationship in a family of peptide-based gemini amphiphiles: An insight from experimental and theoretical model systems, Colloids and Surfaces B-Biointerfaces 2016, 146, 54-62.
  2. Korchowiec, B.; Gorczyca, M.; Rogalska, E.; Regnouf-de-Vains, J. B.; Mourer, M.; Korchowiec, J.: The selective interactions of cationic tetra-p-guanidinoethylcalix 4 arene with lipid membranes: theoretical and experimental model studies, Soft Matter, 2016, 12, 181-190.
  3. Korchowiec, B.; Korchowiec, J.; Orlof-Naturalna, M.; de Vains, J. B. R.; Rogalska, E.: Two antibacterial nalidixate calixarene derivatives in cholesterol monolayers: Molecular dynamics and physicochemical effects, Colloids and Surfaces B-Biointerfaces 2016, 145, 777-784.
  4. Olzynska, A.; Zubek, M.; Roeselova, M.; Korchowiec, J.; Cwiklik, L.: Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments, Biochimica Et Biophysica Acta-Biomembranes 2016, 1858, 3120-3130.
  5. Sifaoui, H.; Modarressi, A.; Magri, P.; Stachowicz-Kusnierz, A.; Korchowiec, J.; Rogalski, M.: Formation of beta-cyclodextrin complexes in an anhydrous environment, Journal of Molecular Modeling 2016, 22, (9).
  6. Gorczyca, M.; Korchowiec, B.; Korchowiec, J.; Trojan, S.; Rubio-Magnieto, J.; Luis, S. V.; Rogalska, E.: A Study of the Interaction between a Family of Gemini Amphiphilic Pseudopeptides and Model Monomolecular Film Membranes Formed with a Cardiolipin, Journal of Physical Chemistry B, 2015, 119, 6668-6679.
  7. Korchowiec, B.; Korchowiec, J.; Gorczyca, M.; de Vains, J. B. R.; Rogalska, E.: Molecular Organization of Nalidixate Conjugated Calixarenes in Bacterial Model Membranes Probed by Molecular Dynamics Simulation and Langmuir Mono layer Studies, Journal of Physical Chemistry B 2015, 119, 2990-3000.
  8. Liu, K.; Korchowiec, J.; Aoki, Y.: Intermediate Electrostatic Field for the Generalized Elongation Method, Chemphyschem 2015, 16, 1551-1556.
  9. de Silva, P.; Korchowiec, J.; Wesolowski, T. A.: Atomic shell structure from the Single-Exponential Decay Detector, Journal of Chemical Physics, 2014, 140 (16).
  10. Kuzniarowicz, P.; Liu, K.; Aoki, Y.; Gu, F. L.; Stachowicz, A.; Korchowiec, J.: Intermediate electrostatic field for the elongation method, Journal of Molecular Modeling, 2014, 20 (6).
  11. de Silva, P.; Korchowiec, J.; Ram, J. S. N.; Wesolowski, T. A.: Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD), Chimia, 2013, 67, 253-256.
  12. Stachowicz, A.; Korchowiec, J.: Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds, Journal of Computational Chemistry, 2013, 34, 2261-2269.
  13. Stachowicz, A.; Rogalski, M.; Korchowiec, J.: Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective, Journal of Molecular Modeling, 2013, 19, 4163-4172.
  14. de Silva, P.; Giebultowski, M.; Korchowiec, J.: Fast orbital localization scheme in molecular fragments resolution, Physical Chemistry Chemical Physics, 2012, 14, 546-552.
  15. de Silva, P.; Korchowiec, J.; Wesolowski, T. A.: Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function, ChemPhysChem, 2012, 13, 3462-3465.
  16. de Silva, P.; Makowski, M.; Korchowiec, J.: Application of Explicitly Localized Molecular Orbitals to Electronic Structure Calculations, Chimia, 2012, 66, 178-181.
  17. Liu, K.; Inerbaev, T.; Korchowiec, J.; Gu, F. L.; Aoki, Y.: Geometry optimization for large systems by the elongation method, Theoretical Chemistry Accounts 2012, 131 (10).
  18. Stachowicz, A.; Korchowiec, J.: Generalized charge sensitivity analysis, Structural Chemistry, 2012, 23, 1449-1458.
  19. De Silva, P.; Korchowiec, J.: Energy Partitioning Scheme Based on Self-Consistent Method for Subsystems: Populational Space Approach, Journal of Computational Chemistry, 2011, 32, 1054-1064.
  20. Korchowiec, B.; Korchowiec, J.; Hato, M.; Rogalska, E.: Glycolipid-cholesterol monolayers: Towards a better understanding of the interaction between the membrane components, Biochimica Et Biophysica Acta-Biomembranes, 2011, 1808, 2466-2476.
  21. Stachowicz, A.; Styrcz, A.; Korchowiec, J.: Charge sensitivity analysis in force-field-atom resolution, Journal of Molecular Modeling, 2011, 17, 2217-2226.
  22. Stachowicz, A.; Styrcz, A.; Korchowiec, J.; Modaressi, A.; Rogalski, M.: DFT studies of cation binding by beta-cyclodextrin, Theoretical Chemistry Accounts, 2011, 130, 939-953.
  23. Korchowiec, B.; Orlof, M.; Sautrey, G.; Ben Salem, A.; Korchowiec, J.; Regnouf-de-Vains, J. B.; Rogalska, E.: The Mechanism of Metal Cation Binding in Two Nalidixate Calixarene Conjugates. A Langmuir Film and Molecular Modeling Study, Journal of Physical Chemistry B, 2010, 114, 10427-10435.
  24. Korchowiec, J.; De Silva, P.; Makowski, M.; Gu, F. L.; Aoki, Y.: Elongation Cutoff Technique at Kohn-Sham Level of Theory, International Journal of Quantum Chemistry, 2010, 110, 2130-2139.
  25. Makowski, M.; Korchowiec, J.; Gu, F. L.; Aoki, Y.: Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2: Formalism, Implementation and Efficiency, Journal of Computational Chemistry, 2010, 31, 1733-1740.
  26. Orimoto, Y.; Gu, F. L.; Korchowiec, J.; Imamura, A.; Aoki, Y.: Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field, Theoretical Chemistry Accounts, 2010, 125, 493-501.
  27. Korchowiec, J.; Lewandowski, J.; Makowski, M.; Gu, F. L.; Aoki, Y.: Elongation Cutoff Technique Armed with Quantum Fast Multipole Method for Linear Scaling, Journal of Computational Chemistry, 2009, 30, 2515-2525.
  28. Wieclaw, K.; Korchowiec, B.; Corvis, Y.; Korchowiec, J.; Guermouche, H.; Rogalska, E.: Meloxicam and Meloxicam-beta-Cyclodextrin Complex in Model Membranes: Effects on the Properties and Enzymatic Lipolysis of Phospholipid Monolayers in Relation to Anti-inflammatory Activity, Langmuir, 2009, 25, 1417-1426.
  29. Corvis, Y.; Korchowiec, B.; Korchowiec, J.; Badis, M.; Mironiuk-Puchalska, E.; Fokt, I.; Priebe, W.; Rogalska, E.: Complexation of metal ions in langmuir films formed with two amphiphilic dioxadithia crown ethers, Journal of Physical Chemistry B, 2008, 112, 10953-10963.
  30. Korchowiec, J.; Korchowiec, B.; Priebe, W.; Rogalska, E.: DFT Study on the Selectivity of Complexation of Metal Cations with a Dioxadithia Crown Ether Ligand, Journal of Physical Chemistry A, 2008, 112, 13633-13640.
  31. Korchowiec, J.; Lewandowski, J.: Elongation cutoff technique: low-order scaling SCF method, Journal of Molecular Modeling, 2008, 14, 651-658.
  32. Korchowiec, J.; Lewandowski, J.: Elongation Cutoff Technique: Parallel Performance, Computer Science, 2008, 9, 67-76.
  33. Korchowiec, B.; Ben Salem, A.; Corvis, Y.; de Vains, J. B. R.; Korchowiec, J.; Rogalska, E.: Calixarenes in a membrane environment: A monolayer study on the miscibility of three p-tert-butylcalix 4 arene beta-lactam derivatives with 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine, Journal of Physical Chemistry B 2007, 111, 13231-13242.
  34. Makowski, M.; Korchowiec, J.; Gu, F. L.; Aoki, Y.: Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems, Journal of Computational Chemistry, 2006, 27, 1603-1619.
  35. Korchowiec, J.; Gu, F. L.; Aoki, Y.: Elongation Method for Linear Scaling SCF Calculations of Polymers, J. Comput. Methods Sci. Eng., 2006, 6, 189-200.
  36. Korchowiec, J.: Equalization equations in reactant resolution, Journal of Chemical Sciences, 2005, 117, 491-495.
  37. Korchowiec, J.: Role of charge-transfer effects in regioselectivity, International Journal of Quantum Chemistry, 2005, 101, 714-721.
  38. Korchowiec, J.; Gu, F. L.; Aoki, Y.: Elongation method at restricted open-shell Hartree-Fock level of theory, International Journal of Quantum Chemistry, 2005, 105, 875-882.
  39. Korchowiec, J.; Gu, F. L.; Imamura, A.; Kirtman, B.; Aoki, Y.: Elongation method with cutoff technique for linear SCF scaling, International Journal of Quantum Chemistry, 2005, 102, 785-794.
  40. Gu, F. L.; Aoki, Y.; Korchowiec, J.; Imamura, A.; Kirtman, B.: A new localization scheme for the elongation method, Journal of Chemical Physics 2004, 121, 10385-10391.
  41. Aoki, Y.; Gu, F. L.; Korchowiec, J.: Elongation Method at Semi-Empirical and ab initio Levels for Large Systems, Lect. Ser. Comput. Sci., 2004, 1, 775-778.
  42. Korchowiec, J.: Importance of charge-transfer effects in 4+2 cycloaddition reaction, Journal of Molecular Structure-Theochem, 2003, 663, 175-185.
  43. Korchowiec, J.; Banas, J.; Najbar, M.: The influence of external potential perturbation and cluster reduction on catalytic activity of vanadium pentoxide, Chemical Physics Letters 2003, 371, 253-259.
  44. Korchowiec, J.: Mechanism of hydrogen abstraction from methane and hydrofluoromethanes by hydroxyl radical, Journal of Physical Organic Chemistry, 2002, 15, 524-528.
  45. Najbar, M.; Banas, J.; Korchowiec, J.; Bialas, A.: Competition between NO reduction and NO decomposition over reduced V-W-O catalysts, Catalysis Today 2002, 73, 249-254.
  46. Korchowiec, J.; Chandra, A. K.; Uchimaru, T.: Importance of charge-transfer effects in regiochemistry of 1,3-dipolar cycloadditions between azides and substituted ethylenes, Journal of Molecular Structure-Theochem, 2001, 572, 193-202.
  47. Korchowiec, J.: Recognition of the electrophilic and nucleophilic centers in molecules via the radical charge transfer Fukui function, Computers & Chemistry, 2000, 24, 259-262.
  48. Korchowiec, J.; Uchimaru, T.: New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water dimer system, Journal of Chemical Physics, 2000, 112, 1623-1633.
  49. Uchimaru, T.; Korchowiec, J.: New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water-dimer system, Abstracts of Papers of the American Chemical Society, 2000, 219, U600-U600.
  50. Uchimaru, T.; Korchowiec, J.; Tsuzuki, S.; Matsumura, K.; Kawahara, S.: Importance of secondary electrostatic interactions in hydrogen-bonding complexes: an investigation using the self-consistent charge and configuration method for subsystems, Chemical Physics Letters, 2000, 318, 203-209.
  51. Korchowiec, J.; Kawahara, S.; Matsumura, K.; Uchimaru, T.; Sugie, M.: Hydrogen abstraction from methane and hydrofluoromethanes by center dot OH radical: Modified GAUSSIAN-2 study, Journal of Physical Chemistry A, 1999, 103, 3548-3553.
  52. Korchowiec, J.; Chandra, A. K.; Uchimaru, T.; Kawahara, S.; Matsumura, K.; Tsuzuki, S.; Mikami, M.: The mutual polarization of reactants: Fukui function description of the charge reorganization, Chemical Physics Letters, 1999, 308 229-234.
  53. Korchowiec, J.; Uchimaru, T.: The charge transfer Fukui function: Extension of the finite-difference approach to reactive systems, Journal of Physical Chemistry A, 1998, 102, 10167-10172.
  54. Korchowiec, J.; Uchimaru, T.: Mechanism of addition of fluoromethyl radicals to fluoroethylenes, Journal of Physical Chemistry A, 1998, 102, 6682-6689.
  55. Korchowiec, J.; Uchimaru, T.: Density functional study of addition of fluoromethyl radicals to fluoroethylenes: Estimation of activation energies, Journal of Physical Chemistry A, 1998, 102, 2439-2442.
  56. Nalewajski, R. F.; Korchowiec, J.; Michalak, A.: Reactivity criteria in charge sensitivity analysis, In Density Functional Theory Iv: Theory of Chemical Reactivity, Nalewajski, R. F., Ed. 1996; Vol. 183, pp 25-141.
  57. Nalewajski, R. F.; Korchowiec, J., Charge response study of the toluene- V2O5 chemisorption clusters: Two reactant approach, Journal of Molecular Catalysis a-Chemical 1996, 112, 167-194.
  58. Nalewajski, R. F.; Korchowiec, J.: Use of charge sensitivity analysis in testing adequacy of cluster representations of catalytic active-sites, Computers & Chemistry, 1995, 19, 217-230.
  59. Nalewajski, R. F.; Korchowiec, J.; Michalak, A.: Intermediate hardness decoupling schemes for chemical-reactivity, Proceedings of the Indian Academy of Sciences-Chemical Sciences, 1994, 106, 353-378.
  60. Kowalski, P.; Korchowiec, J.: Electrophilic benzylation of the pyridine ring - a charge sensitivity and MNDO study, Croatica Chemica Acta, 1994, 67, 197-207.
  61. Korchowiec, J.; Gerwens, H.; Jug, K.: Relaxed Fukui function indexes and their application to chemical-reactivity problems, Chemical Physics Letters, 1994, 222, 58-64.
  62. Nalewajski, R. F.; Korchowiec, J.: Charge sensitivity analysis of oxide catalysts - oxidation-state dependence of the normal-mode description of V2O5 surface clusters, Journal of Molecular Catalysis, 1993, 82, 383-405.
  63. Kowalski, P.; Korchowiec, J.: Action of electrophiles on 2-aminopyridines - a charge sensitivity and electrostatic potential study, Journal of Molecular Structure-Theochem 1993, 107, 119-131.
  64. Korchowiec, J.; Kowalski, P., Charge polarization of molecular-systems - charge sensitivity and MNDO study, Chemical Physics Letters, 1993, 208, 135-138.
  65. Nalewajski, R. F.; Korchowiec, J.; Tokarz, R.; Broclawik, E.; Witko, M.: Charge sensitivity analysis of oxide catalysts - v2o5 clusters and (N-V2O5)---H2 systems, Journal of Molecular Catalysis, 1992, 77 165-180.
  66. Korchowiec, J.; Nalewajski, R. F., Group electronegativity and Fukui function studies of the substituent effects in aromatic and inorganic systems, International Journal of Quantum Chemistry, 1992, 44, 1027-1040.
  67. Nalewajski, R. F.; Korchowiec, J.: Charge sensitivities of catalytic clusters - model (N-Ni) and (N-Ni)-CO systems, Journal of Molecular Catalysis, 1991, 68, 123-148.
  68. Nalewajski, R. F.; Korchowiec, J.: Protonation of pyrrole - a model hardness (softness) sensitivity study, Croatica Chemica Acta, 1990, 62, 603-616.
  69. Nalewajski, R. F.; Korchowiec, J.: Chemical-reactivity and charge sensitivities of reactants - interaction energy and application to protonation of pyrrole and cyclopentadiene, Acta Physica Polonica A, 1989, 76, 747-788.
  70. Nalewajski, R. F.; Korchowiec, J.: Basic concepts and illustrative applications of the sensitivity analysis of molecular charge-distribution, Journal of Molecular Catalysis, 1989, 54, 324-342.
  71. Nalewajski, R. F.; Korchowiec, J.; Zhou, Z. X.: Molecular hardness and softness parameters and their use in chemistry, International Journal of Quantum Chemistry, 1988, 349-366.
  72. Nalewajski, R. F.; Korchowiec, J.; Wyatt, R. E.: Effect of basis set non-orthogonality in the Wigner R-matrix theory of scattering, Acta Physica Polonica A, 1988, 74, 269-285.