Total impact factor: 324.839

Number of publications: 99

1. Vetter Grzegorz, Białońska Agata, Jezierska Aneta, Panek Jarosław J., Pacholska-Dudziak Ewa
Heterobimetallic 21,23-dimetallaporphyrin: activation of metal–metal interactions within the porphyrinoid macrocycle
Chemical Communications, 2023, 59, 6841-6844
IF: 4.9
10.1039/D3CC01367G

2. Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Kochel Andrzej, Filarowski Aleksander
Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine
International Journal of Molecular Sciences, 2023, 24, 5248/1-5248/14
IF: 5.6
10.3390/ijms24065248

3. Krupka Katarzyna M., Banach Sylwia, Pocheć Michał, Panek Jarosław J., Jezierska Aneta
Making and Breaking—Insight into the Symmetry of Salen Analogues
Symmetry, 2023, 15, 424/1-424/22
IF: 2.7
10.3390/sym15020424

4. Michalczyk Mariusz, Wojtkowiak Kamil, Panek Jarosław J., Jezierska Aneta, Zierkiewicz Wiktor
Static and Dynamical Quantum Studies of CX₃-AlX₂ and CSiX₃-BX₂ (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center
International Journal of Molecular Sciences, 2023, 24, 7881/1-7881/20
IF: 5.6
10.3390/ijms24097881

5. Kizior Beata, Michalczyk Mariusz, Panek Jarosław J., Zierkiewicz Wiktor, Jezierska Aneta
Unraveling the Nature of Hydrogen Bonds of “Proton Sponges” Based on Car-Parrinello and Metadynamics Approaches
International Journal of Molecular Sciences, 2023, 24, 1542/1-1542/22
IF: 5.6
10.3390/ijms24021542

6. Kochel Andrzej, Hołyńska Małgorzata, Twaróg Kamil, Jezierska Aneta, Panek Jarosław J., Wojaczyński Jacek
A new mixed-valence Cu^I/Cu^II three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties.
Acta Crystallographica Section C: Structural Chemistry, 2022, C78, 405-413
IF: 0.8
10.1107/s2053229622005812

7. Świątek Piotr, Glomb Teresa, Dobosz Agnieszka, Gębarowski Tomasz, Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J., Świątek Małgorzata, Strzelecka Małgorzata
Biological evaluation and molecular docking studies of novel 1,3,4-oxadiazole derivatives of 4,6-dimethyl-2-sulfanylpyridine-3-carboxamide.
International Journal of Molecular Sciences, 2022, 23, 549/1-549/25
IF: 5.6
10.3390/ijms23010549

8. Wojtkowiak Kamil, Michalczyk Mariusz, Zierkiewicz Wiktor, Jezierska Aneta, Panek Jarosław J.
Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic
International Journal of Molecular Sciences, 2022, 23, 13701/1-13701/20
IF: 5.6
10.3390/ijms232213701

9. Krupka Katarzyna M., Pocheć Michał, Panek Jarosław J., Jezierska Aneta
Comprehensive Empirical Model of Substitution—Influence on Hydrogen Bonding in Aromatic Schiff Bases
International Journal of Molecular Sciences, 2022, 23, 12439/1-12439/19
IF: 5.6
10.3390/ijms232012439

10. Jezierska Aneta, Panek Jarosław J., Błaziak Kacper, Raczyński Kamil, Koll Aleksander
Exploring intra- and intermolecular interactions in selected N-oxides : the role of hydrogen bonds.
Molecules, 2022, 27, 792/1-792/19
IF: 4.6
10.3390/molecules27030792

11. Pocheć Michał, Krupka Katarzyna M., Panek Jarosław J., Orzechowski Kazimierz, Jezierska Aneta
Inside Out Approach to Rotator State in Hydrogen-Bonded System — Experimental and Theoretical Cross-Examination in n-Octanol.
International Journal of Molecular Sciences, 2022, 23, 2138/1-2138/16
IF: 5.6
10.3390/ijms23042138

12. Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J.
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
Symmetry, 2022, 14, 691/1-691/19
IF: 2.7
10.3390/sym14040691

13. Pocheć Michał, Krupka Katarzyna M., Panek Jarosław J., Orzechowski Kazimierz, Jezierska Aneta
Intermolecular interactions and spectroscopic signatures of the hydrogen-bonded system—n-octanol in experimental and theoretical studies.
Molecules, 2022, 27, 1225/1-1225/25
IF: 4.6
10.3390/molecules27041225

14. Wojtkowiak Kamil, Panek Jarosław J., Jezierska Aneta
Polychlorinated Biphenyls Interactions with Water—Characterization Based on the Analysis of Non-Covalent Interactions and Energy Partitioning
Sustainability, 2022, 14, 12529/1-12529/16
IF: 3.9
10.3390/su141912529

15. Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J.
Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives
Molecules, 2022, 27, 2299/1-2299/24
IF: 4.6
10.3390/molecules27072299

16. Raczyński Kamil, Pihut Andrzej, Panek Jarosław J., Jezierska Aneta
Competition of intra- and intermolecular forces in anthraquinone and its selected derivatives.
Molecules, 2021, 26, 3448/1-3448/21
IF: 4.927
10.3390/molecules26113448

17. Pocheć Michał, Kułacz Karol, Panek Jarosław J., Jezierska Aneta
How substitution combines with non-covalent interactions to modulate 1,4-naphthoquinone and its derivatives molecular features : multifactor studies.
International Journal of Molecular Sciences, 2021, 22, 10357/1-10357/19
IF: 6.208
10.3390/ijms221910357

18. Kułacz Karol, Pocheć Michał, Jezierska Aneta, Panek Jarosław J.
Naphthazarin derivatives in the light of intra- and intermolecular forces.
Molecules, 2021, 26, 5642/1-5642/25
IF: 4.927
10.3390/molecules26185642

19. Jezierska Aneta, Błaziak Kacper, Klahm Sebastian, Lüchow Arne, Panek Jarosław J.
Non-covalent forces in Naphthazarin—cooperativity or competition in the light of theoretical approaches.
International Journal of Molecular Sciences, 2021, 22, 8033/1-8033/22
IF: 6.208
10.3390/ijms22158033

20. Jezierska Aneta, Kizior Beata, Szyja Bartłomiej M., Panek Jarosław J.
On the nature of inter- and intramolecular interactions involving benzo[h]quinoline and 10-hydroxybenzo[h]quinoline: electronic ground state vs excited state study.
Journal of Molecular Structure, 2021, 1234, 130126/1-130126/11
IF: 3.841
10.1016/j.molstruc.2021.130126

21. Panek Jarosław J., Zasada Joanna, Szyja Bartłomiej M., Kizior Beata, Jezierska Aneta
Sensitivity of intra- and intermolecular interactions of benzo[h]quinoline from Car–Parrinello molecular dynamics and electronic structure inspection.
International Journal of Molecular Sciences, 2021, 22, 5220/1-5220/22
IF: 6.208
10.3390/ijms22105220

22. Kizior Beata, Panek Jarosław J., Szyja Bartłomiej M., Jezierska Aneta
Structure-property relationship in selected naphtho- and anthra-quinone derivatives on the basis of density functional theory and Car–Parrinello molecular dynamics.
Symmetry, 2021, 13, 564/1-564/18
IF: 2.94
10.3390/sym13040564

23. Suchodolski Jakub, Derkacz Daria, Muraszko Jakub, Panek Jarosław J., Jezierska Aneta, Łukaszewicz Marcin, Krasowska Anna
Fluconazole and lipopeptide surfactin interplay during Candida albicans plasma membrane and cell wall remodeling increases fungal immune system exposure.
Pharmaceutics, 2020, 12, 314/1-314/22
IF: 6.321
10.3390/pharmaceutics12040314

24. Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Goremychkin Eugene A., Tolstoy Peter M., Shenderovich Ilya G., Filarowski Aleksander
Inter- vs. intramolecular hydrogen bond patterns and proton dynamics in nitrophthalic acid associates.
Molecules, 2020, 25, 4720/1-4720/22
IF: 4.411
10.3390/molecules25204720

25. Melikova Sona M., Voronin Alexander P., Panek Jarosław, Frolov Nikita E., Shishkina Anastasia V., Rykounov Alexey A., Tretyakov Peter Yu., Vener Mikhail V.
Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds : periodic DFT study.
RSC Advances, 2020, 10, 27899-27910
IF: 3.361
10.1039/d0ra04799f

26. Kizior Beata, Panek Jarosław J., Jezierska Aneta
Microsolvation of histidine : a theoretical study of intermolecular interactions based on AIM and SAPT approaches.
Symmetry, 2020, 12, 1153/1-1153/19
IF: 2.713
10.3390/sym12071153

27. Starosta Radosław, de Almeida Rodrigo F. M., Puchalska Małgorzata, Białońska Agata, Panek Jarosław J., Jezierska Aneta, Szmigiel Ida, Suchodolski Jakub, Krasowska Anna
New anticandidal Cu(I) complexes with neocuproine and ketoconazole derived diphenyl(aminomethyl)phosphane : luminescence properties for detection in fungal cells.
Dalton Transactions, 2020, 49, 8528-8539
IF: 4.39
10.1039/d0dt01162b

28. Piękoś Patrycja, Jezierska Aneta, Panek Jarosław J., Goremychkin Eugene A., Pozharskii Alexander F., Antonov Alexander S., Tolstoy Peter M., Filarowski Aleksander
Symmetry/asymmetry of the NHN hydrogen bond in protonated 1,8-bis(dimethylamino)naphthalene.
Symmetry, 2020, 12, 1924/1-1924/26
IF: 2.713
10.3390/sym12111924

29. Jezierska Aneta, Panek Jarosław J.
Theoretical study of intramolecular hydrogen bond in selected symmetric “proton sponges” on the basis of DFT and CPMD methods.
Journal of Molecular Modeling, 2020, 26, 37/1-37/10
IF: 1.81
10.1007/s00894-020-4296-9

30. Jezierska Aneta, Panek Jarosław J.
Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins.
Journal of Molecular Modeling, 2019, 25, 361/1-361/7
IF: 1.346
10.1007/s00894-019-4253-7

31. Jezierska Aneta, Tolstoy Peter M., Panek Jarosław J., Filarowski Aleksander
Intramolecular hydrogen bonds in selected aromatic compounds: recent developments.
Catalysts, 2019, 9, 909/1-909/19
IF: 3.52
10.3390/catal9110909

32. de Almeida Rodrigo F. M., Santos Filipa C., Marycz Krzysztof, Alicka Michalina, Krasowska Anna, Suchodolski Jakub, Panek Jarosław J., Jezierska Aneta, Starosta Radosław
New diphenylphosphane derivatives of ketoconazole are promising antifungal agents.
Scientific Reports, 2019, 9, 16214/1-16214/14
IF: 3.998
10.1038/s41598-019-52525-7

33. Panek Jarosław J., Jezierska Aneta
N-oxide derivatives: Car–Parrinello molecular dynamics and electron localization function study on intramolecular hydrogen bonds.
Journal of Physical Chemistry A, 2018, 122, 6605-6614
IF: 2.641
10.1021/acs.jpca.8b02970

34. Kwocz Agnieszka, Panek Jarosław J., Jezierska Aneta, Hetmańczyk Łukasz, Pawlukojć Andrzej, Kochel Andrzej, Lipkowski Paweł, Filarowski Aleksander
A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory.
New Journal of Chemistry, 2018, 42, 19467-19477
IF: 3.069
10.1039/c8nj04339f

35. Gerus Aleksandra, Ślepokura Katarzyna, Panek Jarosław, Turek Aleksandra, Lisowski Jerzy
Chiral cryptates derived from a hexaazamacrocycle.
Journal of Organic Chemistry, 2018, 83, 6748-6753
IF: 4.745
10.1021/acs.joc.8b00670

36. Kocięcka Paulina, Czeluśniak Izabela, Panek Jarosław, Szymańska-Buzar Teresa
Unusual product formation in tungsten(0)-catalysed reactions of propargylic alcohols and secondary amines : hydroamination and the construction of the tetrahydrofuran ring.
Molecular Catalysis, 2018, 455, 23-31
IF: 2.938
10.1016/j.mcat.2018.05.022

37. Panek Anna, Świzdor Alina, Milecka-Tronina Natalia, Panek Jarosław J.
Insight into the orientational versatility of steroid substrates - a docking and molecular dynamics study of a steroid receptor and steroid monooxygenase.
Journal of Molecular Modeling, 2017, 23, 96/1-96/8
IF: 1.507
10.1007/s00894-017-3278-z

38. Kieryk P., Janczak Jan, Panek Jarosław, Miklitz Marcin, Lisowski Jerzy
Chiral 2 + 3 keto-enamine pseudocyclophanes derived from 1,3,5-triformylphloroglucinol.
Organic Letters, 2016, 18, 12-15
IF: 6.579
10.1021/acs.orglett.5b02989

39. Gregoliński Janusz, Ślepokura Katarzyna, Paćkowski Tomasz, Panek Jarosław, Stefanowicz Piotr, Lisowski Jerzy
From 2+2 to 8+8 condensation products of diamine and dialdehyde : giant container-shaped macrocycles for multiple anion binding.
Journal of Organic Chemistry, 2016, 81, 5285-5294
IF: 4.849
10.1021/acs.joc.6b00531

40. Panek Jarosław J., Błaziak Kacper, Jezierska Aneta
Hydrogen bonds in quinoline N-oxide derivatives: first-principle molecular dynamics and metadynamics ground state study.
Structural Chemistry, 2016, 27, 65-75
IF: 1.582
10.1007/s11224-015-0720-7

41. Jezierska Aneta, Panek Jarosław J.
"Zwitterionic proton sponge" hydrogen bonding investigations on the basis of Car-Parrinello molecular dynamics.
Journal of Chemical Information and Modeling, 2015, 55, 1148-1157
IF: 3.657
10.1021/ci500560g

42. Panek Jarosław J., Jezierska Aneta
Hydrogen bridges of polycyclic aromatic systems with O–H···O bonds—a gas-phase vs. solid-state Car-Parrinello study.
Journal of Molecular Modeling, 2015, 21, 15/1-15/7
IF: 1.438
10.1007/s00894-014-2550-8

43. Błaziak Kacper, Panek Jarosław J., Jezierska Aneta
Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT.
Journal of Chemical Physics, 2015, 143, 034301/1-034301/9
IF: 2.894
10.1063/1.4926649

44. Panek Jarosław J.
Symmetry-adapted perturbation theory study on interactions between small cycloalkanes.
Chemical Physics Letters, 2015, 640, 147-152
IF: 1.86
10.1016/j.cplett.2015.10.026

45. Panek Jarosław J., Jezierska-Mazzarello Aneta, Lipkowski Paweł, Martyniak Agata, Filarowski Aleksander
Comparison of resonance assisted and charge assisted effects in strengthening of hydrogen bonds in dipyrrins.
Journal of Chemical Information and Modeling, 2014, 54, 86-95
IF: 3.738
10.1021/ci400091f

46. Panek Jarosław J., Filarowski Aleksander, Jezierska-Mazzarello Aneta
Impact of proton transfer phenomena on the electronic structure of model Schiff bases: an AIM/NBO/ELF study.
Journal of Chemical Physics, 2013, 139, 154312/1- 154312/10
IF: 3.122
10.1063/1.4825098

47. Paluch Piotr, Kaźmierski Sławomir, Jeziorna Agata, Sniechowska Justyna, Dabrowa Kajetan, Panek Jarosław J., Jezierska-Mazzarello Aneta, Jurczak Janusz, Potrzebowski Marek J.
Influence of environmental humidity on organization and molecular dynamics of heteromacrocyclic assemblies.
Journal of Physical Chemistry B, 2013, 117, 14420-14431
IF: 3.377
10.1021/jp406308a

48. Liu Xueping, Bereźniak Tomasz, Panek Jarosław J., Jezierska-Mazzarello Aneta
Theoretical study of zeatin - a plant hormone and potential drug for neural diseases - on the basis of DFT, MP2 and target docking.
Chemical Physics Letters, 2013, 557, 140-144
IF: 1.991
10.1016/j.cplett.2012.12.034

49. Jezierska-Mazzarello Aneta, Panek Jarosław J., Szatyłowicz Halina, Krygowski Tadeusz M.
Hydrogen bonding as a modulator of aromaticity and electronic structure of selected ortho-hydroxybenzaldehyde derivatives.
Journal of Physical Chemistry A, 2012, 116, 460-475
IF: 2.771
10.1021/jp205730t

50. Martyniak Agata, Panek Jarosław, Jezierska-Mazzarello Aneta, Filarowski Aleksander
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines.
Journal of Computer-Aided Molecular Design, 2012, 26, 1045-1053
IF: 3.172
10.1007/s10822-012-9597-3

51. Ryng Stanisław, Zimecki Michał, Jezierska-Mazzarello Aneta, Panek Jarosław J., Mączyński Marcin, Głowiak Tadeusz, Sawka-Dobrowolska Wanda, Koll Aleksander
A complex study of 5-amino-3-methyl-4-[2-(5-amino-1,3,4-oxadiazolo)]-isoxazole monohydrate: A new low-molecular-weight immune response modifier.
Journal of Molecular Structure, 2011, 999, 60-67
IF: 1.634
10.1016/j.molstruc.2011.05.031

52. Jezierska-Mazzarello Aneta, Panek Jarosław J., Vuilleumier R., Koll Aleksander, Ciccotti G.
Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases—A comparative molecular dynamics study.
Journal of Chemical Physics, 2011, 134, 034308 /1-034308 /10
IF: 3.333
10.1063/1.3528721

53. Panek Jarosław J., Mazzarello R., Novič M., Jezierska-Mazzarello Aneta
Impact of mercury(II) on proteinase K catalytic center: investigations via classical and Born-Oppenheimer molecular dynamics.
Molecular Diversity, 2011, 15, 215-226
IF: 3.153
10.1007/s11030-010-9256-3

54. Panek Jarosław J., Jezierska-Mazzarello Aneta, Koll Aleksander, Dovbeshko Galina, Fesenko Olena
p-nitrobenzoic acid adsorption on nanostructured gold surfaces investigated by combined experimental and computational approaches.
ChemPhysChem, 2011, 12, 2485-2495
IF: 3.412
10.1002/cphc.201100067

55. Jezierska Aneta, Panek Jarosław J., Żukowska G. Z., Sporzyński A.
A combined experimental and theoretical study of benzoxaborole derivatives by Raman and IR spectroscopy, static DFT, and first-principle molecular dynamics.
Journal of Physical Organic Chemistry, 2010, 23, 451-460
IF: 1.478
10.1002/poc.1625

56. Panek Jarosław J., Ward T. R., Jezierska-Mazzarello Aneta, Novič M.
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin—an insight from molecular dynamics simulations with classical and ab initio force fields.
Journal of Computer-Aided Molecular Design, 2010, 24, 719-732
IF: 3.374
10.1007/s10822-010-9369-x

57. Jezierska-Mazzarello Aneta, Vuilleumier R., Panek Jarosław J., Ciccotti G.
Molecular property investigations of anortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach.
Journal of Physical Chemistry B, 2010, 114, 242-253
IF: 3.603
10.1021/jp903501m

58. Panek Jarosław J., Ward T. R., Jezierska Aneta, Novič M.
Effects of tryptophan residue fluorination on streptavidin stability and biotin-streptavidin interactions via molecular dynamics simulations.
Journal of Molecular Modeling, 2009, 15, 257-266
IF: 2.336
10.1007/s00894-008-0382-0

59. Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Journal of Chemical Physics, 2009, 130, 164517/1-164517/9
IF: 3.093
10.1063/1.3124192

60. Szatyłowicz Halina, Krygowski Tadeusz M., Jezierska Aneta, Panek Jarosław J.
Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study.
Journal of Physical Chemistry A, 2009, 113, 5800-5805
IF: 2.899
10.1021/jp8109258

61. Jezierska Aneta, Panek Jarosław J.
Investigations of an O—H···S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
Journal of Computational Chemistry, 2009, 30, 1241-1250
IF: 3.769
10.1002/jcc.21158

62. Jezierska Aneta, Panek Jarosław J., Mazzarello R.
Structural and electronic structure differences due to the O–H···O and O–H···S bond formation in selected benzamide derivatives: a first-principles molecular dynamics study.
Theoretical Chemistry Accounts, 2009, 124, 319-330
IF: 2.584
10.1007/s00214-009-0612-2

63. Jezierska Aneta, Novič M., Panek Jarosław J.
The nature of hydrogen bonding in selected hydrazide derivatives investigated via static models and Car-Parrinello molecular dynamics.
Polish Journal of Chemistry, 2009, 83, 799-819
IF: 0.523

64. Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Journal of Molecular Structure-Theochem, 2009, 916, 72-75
IF: 1.216
10.1016/j.theochem.2009.09.008

65. Pordea A., Creus M., Panek Jarosław, Duboc C., Mathis D., Novic M., Ward T. R.
Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin.
Journal of the American Chemical Society, 2008, 130, 8085-8088
IF: 8.091
10.1021/ja8017219

66. Jezierska Aneta, Panek Jarosław J.
First-principle molecular dynamics study of selected Schiff and Mannich bases: application of two-dimensional potential of mean force to systems with strong intramolecular hydrogen bonds.
Journal of Chemical Theory and Computation, 2008, 4, 375-384
IF: 4.274
10.1021/ct7002644

67. Szatyłowicz Halina, Krygowski Tadeusz M., Panek Jarosław J., Jezierska Aneta
H-bonded complexes of aniline with HF/F^- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules , and natural bond orbitals theories.
Journal of Physical Chemistry A, 2008, 112, 9895-9905
IF: 2.871
10.1021/jp803592v

68. Cyrański Michał K., Jezierska Aneta, Klimentowska P., Panek Jarosław J., Sporzyński A.
Impact of intermolecular hydrogen bond on structural properties of phenylboronic acid: quantum chemical and X-ray study.
Journal of Physical Organic Chemistry, 2008, 21, 472-482
IF: 1.415
10.1002/poc.1389

69. Stare J., Panek Jarosław, Eckert J., Grdadolnik J., Mavri J., Hadži D.
Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acidN-oxide. A new computational approach and infrared, Raman and INS study.
Journal of Physical Chemistry A, 2008, 112, 1576-1586
IF: 2.871
10.1021/jp077107u

70. Jezierska Aneta, Panek Jarosław J., Koll Aleksander
Spectroscopic properties of a strongly anharmonic Mannich base N-oxide.
ChemPhysChem, 2008, 9, 839-846
IF: 3.636
10.1002/cphc.200700769

71. Cyrański Michał K., Jezierska Aneta, Klimentowska P., Panek Jarosław J., Żukowska G. Z., Sporzyński A.
Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
Journal of Chemical Physics, 2008, 128, 124512/1-124512/9
IF: 3.149
10.1063/1.2885053

72. Kołodziejczak Jerzy, Jezierska Aneta, Panek Jarosław J., De Borggraeve W. M., Kochel Andrzej, Jose R. A., Koll Aleksander
Structural property investgations of 1-[2-(2-methoxyphenyl)ethyl]piperidinium chloride: an experimental and computational study.
Journal of Molecular Structure, 2008, 891, 184-191
IF: 1.594
10.1016/j.molstruc.2008.03.022

73. Panek Jarosław, Berski Sławomir
Symmetry-adapted perturbation theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr.
Chemical Physics Letters, 2008, 467, 41-45
IF: 2.169
10.1016/j.cplett.2008.11.014

74. Jezierska Aneta, Panek Jarosław, Borštnik U., Mavri J., Janežič D.
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
Journal of Physical Chemistry B, 2007, 111, 5243-5248
IF: 4.086
10.1021/jp068676p

75. Jezierska Aneta, Panek Jarosław J., Koll Aleksander, Mavri J.
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
Journal of Chemical Physics, 2007, 126, 205101/1-205101/9
IF: 3.044
10.1063/1.2736692

76. Jezierska Aneta, Panek Jarosław J., Filarowski Aleksander
Molecular properties investigation of a substituted aromatic Mannich base: dynamic and static models.
Journal of Chemical Information and Modeling, 2007, 47, 818-831
IF: 2.986
10.1021/ci600490s

77. Panek Jarosław J., Jezierska Aneta
Symmetry-adapted perturbation theory analysis of the N···HX hydrogen bonds.
Journal of Physical Chemistry A, 2007, 111, 650-655
IF: 2.918
10.1021/jp063217+

78. Panek Jarosław J., Wawrzyniak Piotr Kornel, Latajka Zdzisław, Lundell Jan
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms.
Chemical Physics Letters, 2006, 417, 100-104
IF: 2.462
10.1016/j.cplett.2005.09.129

79. Konopacka Aleksandra, Pająk Joanna, Jezierska Aneta, Panek Jarosław, Ramaekers R., Maes G., Pawełka Zbigniew
Solvent influence on the rotational isomerism in terephthalaldehyde.
Structural Chemistry, 2006, 17, 177-188
IF: 1.51
10.1007/s11224-006-9028-y

80. Moc Jerzy, Panek Jarosław
The hypervalent PF₄H species dimer: a system with double blue-shifted P–H···F hydrogen bonding?.
Chemical Physics Letters, 2006, 419, 362-368
IF: 2.462
10.1016/j.cplett.2005.12.014

81. Panek Jarosław, Jezierska Aneta, Vračko Marjan
Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors.
Journal of Chemical Information and Modeling, 2005, 45, 264-272
IF: 2.923
10.1021/ci049752t

82. Panek Jarosław, Jezierska Aneta, Mierzwicki Krzysztof, Latajka Zdzisław, Koll Aleksander
Molecular modeling study of leflunomide and its active metabolite analogues.
Journal of Chemical Information and Modeling, 2005, 45, 39-48
IF: 2.923
10.1021/ci049754d

83. Moc Jerzy, Bober Karolina, Panek Jarosław
On the existence of MH_n species with M=Al., Ga and n= 4,5,6. Computational study of structures, stabilities and bonding.
Journal of Molecular Modeling, 2005, 12, 93-100
IF: 1.67
10.1007/s00894-005-0010-1

84. Wawrzyniak Piotr Kornel, Panek Jarosław, Lundell Jan, Latajka Zdzisław
On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes.
Journal of Molecular Modeling, 2005, 11, 351-361
IF: 1.67
10.1007/s00894-005-0267-4

85. Stępień Marcin, Latos-Grażyński Lechosław, Szterenberg Ludmiła, Panek Jarosław, Latajka Zdzisław
Cadmium(II) and nickel(II) complexes of benziporphyrins. A study of weak intramolecular metal-arene interactions.
Journal of the American Chemical Society, 2004, 126, 4566-4580
IF: 6.903
10.1021/ja039384u

86. Berski Sławomir, Ciunik Zbigniew, Drabent Krzysztof, Latajka Zdzisław, Panek Jarosław
Dominant role of C-Br···N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of Schiff-base-containing triazoles.
Journal of Physical Chemistry B, 2004, 108, 12327-12332
IF: 3.834
10.1021/jp049742v

87. Panek Jarosław, Stare J., Hadži D.
From the isolated molecule to oligomers and the crystal: a static density functional theory and Car-Parrinello molecular dynamics study of geometry and potential function modifications of the short intramolecular hydrogen bond in picolinic acid N-oxide.
Journal of Physical Chemistry A, 2004, 108, 7417-7423
IF: 2.639
10.1021/jp0495794

88. Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon
Journal of Molecular Structure, 2004, 691, 115-122
IF: 1.2
10.1016/j.molstruc.2003.12.011

89. Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon.
Journal of Molecular Structure, 2004, 704, 297-304
IF: 1.2
10.1016/j.molstruc.2004.07.028

90. Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Głowiak Tadeusz, Koll Aleksander
An experimental and theoretical structural study of 5-amino-3-methylisoxazolo-4-carboxylic acid p-chlorophenylamide.
Journal of Molecular Modeling, 2003, 9, 159-163
IF: 2.135
10.1007/s00894-003-0125-1

91. Jezierska Aneta, Panek Jarosław, Ryng Stanisław
DFT study of a novel lead structure in the isoxazole heterocyclic system.
Journal of Molecular Structure-Theochem, 2003, 636, 203-214
IF: 1.027
10.1016/S0166-1280(03)00482-2

92. D'Amelio N., Gaggelli Elena, Gajewska A., Kochman H., Kochman K., Kozłowski Henryk, Latajka Zdzisław, Młynarz Piotr, Panek Jarosław, Valensin Gianni
Structural analysis and sheep pituitary receptor binding of GnRH and its complexes with metal ions.
Journal of Inorganic Biochemistry, 2003, 94, 28-35
IF: 2.343
10.1016/S0162-0134(02)00630-X

93. Panek Jarosław, Latajka Zdzisław, Lundell Jan
DFT calculations of HRgX (Rg = rare gas; X = halogen) molecules.
Physical Chemistry Chemical Physics, 2002, 4, 2504-2510
IF: 1.838
10.1039/b109578a

94. Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Zimecki Michał, Fedorowicz Adam, Koll Aleksander
Quantum-chemical study with application of the PCM model on correlation between biological activity and molecular structure of 5-amino-3-methylisoxazole-4-carboxylic acid hydrazide Schiff base derivatives.
Polish Journal of Chemistry, 2002, 76, 1255-1262
IF: 0.528

95. Moc Jerzy, Panek Jarosław
Electron affinity of the monobromomethyl radical and vibrational spectrum of its anion: a combined coupled-cluster and density functional study.
Chemical Physics Letters, 2001, 345, 497-504
IF: 2.364
10.1016/S0009-2614(01)00908-3

96. Lundell Jan, Panek Jarosław, Latajka Zdzisław
Quantum chemical calculations on FXeSiF.
Chemical Physics Letters, 2001, 348, 147-154
IF: 2.364
10.1016/S0009-2614(01)01099-5

97. Panek Jarosław, Latajka Zdzisław
A theoretical study of NO₂ complexes with aluminium and gallium based on topological analysis of electron density and electron localization function.
Chemical Physics Letters, 2000, 332, 617-623
IF: 2.364
10.1016/S0009-2614(00)01295-1

98. Młynarz Piotr, Gaggelli Nicola, Panek Jarosław, Stasiak M., Valensin Gianni, Kowalik-Jankowska Teresa, Leplawy Mirosław T., Latajka Zdzisław, Kozłowski Henryk
How the α-hydroxymethylserine residue stabilizes oligopeptide complexes with nickel(II) and copper(II) ions.
Journal of the Chemical Society, Dalton Transactions, 2000, 7, 1033-1038
IF: 2.502
10.1039/a909354k

99. Panek Jarosław, Latajka Zdzisław
Theoretical study of aluminum and gallium atom complexes with CO₂, CS₂ and COS.
Journal of Physical Chemistry A, 1999, 103, 6845-6850
IF: 2.695
10.1021/jp9912657