Repozytorium
Wyszukaj
Kolekcje
Inne
Autor publikacji Jarosław Panek
Silver Coordination Polymers Driven by Adamantoid Blocks for Advanced Antiviral and Antibacterial Biomaterials
Jaros Sabina W., Florek Magdalena, Bażanów Barbara, Panek Jarosław, Krogul-Sobczak Agnieszka, Conceição Oliveira M., Król Jarosław, Śliwińska-Hill Urszula, Nesterov Dmytro S., Kirillov Alexander M., Smoleński Piotr
Gulliver in the country of lilliput : an interplay of noncovalent interactions.
Jezierska Aneta, Panek Jarosław, Filarowski Aleksander
Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds : periodic DFT study.
Melikova Sona M., Voronin Alexander P., Panek Jarosław, Frolov Nikita E., Shishkina Anastasia V., Rykounov Alexey A., Tretyakov Peter Yu., Vener Mikhail V.
Chiral cryptates derived from a hexaazamacrocycle.
Gerus Aleksandra, Ślepokura Katarzyna, Panek Jarosław, Turek Aleksandra, Lisowski Jerzy
Unusual product formation in tungsten(0)-catalysed reactions of propargylic alcohols and secondary amines : hydroamination and the construction of the tetrahydrofuran ring.
Kocięcka Paulina, Czeluśniak Izabela, Panek Jarosław, Szymańska-Buzar Teresa
Chiral 2 + 3 keto-enamine pseudocyclophanes derived from 1,3,5-triformylphloroglucinol.
Kieryk P., Janczak Jan, Panek Jarosław, Miklitz Marcin, Lisowski Jerzy
From 2+2 to 8+8 condensation products of diamine and dialdehyde : giant container-shaped macrocycles for multiple anion binding.
Gregoliński Janusz, Ślepokura Katarzyna, Paćkowski Tomasz, Panek Jarosław, Stefanowicz Piotr, Lisowski Jerzy
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines.
Martyniak Agata, Panek Jarosław, Jezierska-Mazzarello Aneta, Filarowski Aleksander
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin.
Pordea A., Creus M., Panek Jarosław, Duboc C., Mathis D., Novic M., Ward T. R.
Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acidN-oxide. A new computational approach and infrared, Raman and INS study.
Stare J., Panek Jarosław, Eckert J., Grdadolnik J., Mavri J., Hadži D.
Symmetry-adapted perturbation theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr.
Panek Jarosław, Berski Sławomir
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
Jezierska Aneta, Panek Jarosław, Borštnik U., Mavri J., Janežič D.
Solvent influence on the rotational isomerism in terephthalaldehyde.
Konopacka Aleksandra, Pająk Joanna, Jezierska Aneta, Panek Jarosław, Ramaekers R., Maes G., Pawełka Zbigniew
The hypervalent PF4H species dimer: a system with double blue-shifted P–H···F hydrogen bonding?.
Moc Jerzy, Panek Jarosław
Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors.
Panek Jarosław, Jezierska Aneta, Vračko Marjan
Molecular modeling study of leflunomide and its active metabolite analogues.
Panek Jarosław, Jezierska Aneta, Mierzwicki Krzysztof, Latajka Zdzisław, Koll Aleksander
Molecular simulations of formic acid.
Lundell Jan, Jolkkonen S., Saarelainen M., Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław
On the existence of MHn species with M=Al., Ga and n= 4,5,6. Computational study of structures, stabilities and bonding.
Moc Jerzy, Bober Karolina, Panek Jarosław
On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes.
Wawrzyniak Piotr Kornel, Panek Jarosław, Lundell Jan, Latajka Zdzisław
Cadmium(II) and nickel(II) complexes of benziporphyrins. A study of weak intramolecular metal-arene interactions.
Stępień Marcin, Latos-Grażyński Lechosław, Szterenberg Ludmiła, Panek Jarosław, Latajka Zdzisław
Dominant role of C-Br···N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of Schiff-base-containing triazoles.
Berski Sławomir, Ciunik Zbigniew, Drabent Krzysztof, Latajka Zdzisław, Panek Jarosław
Theoretical study of the complex between formic acid and argon.
Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon
Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
An experimental and theoretical structural study of 5-amino-3-methylisoxazolo-4-carboxylic acid p-chlorophenylamide.
Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Głowiak Tadeusz, Koll Aleksander
DFT study of a novel lead structure in the isoxazole heterocyclic system.
Jezierska Aneta, Panek Jarosław, Ryng Stanisław
Structural analysis and sheep pituitary receptor binding of GnRH and its complexes with metal ions.
D'Amelio N., Gaggelli Elena, Gajewska A., Kochman H., Kochman K., Kozłowski Henryk, Latajka Zdzisław, Młynarz Piotr, Panek Jarosław, Valensin Gianni
DFT calculations of HRgX (Rg = rare gas; X = halogen) molecules.
Panek Jarosław, Latajka Zdzisław, Lundell Jan
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.
Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Zimecki Michał, Fedorowicz Adam, Koll Aleksander
Quantum chemical calculations on FXeSiF.
Lundell Jan, Panek Jarosław, Latajka Zdzisław
How the α-hydroxymethylserine residue stabilizes oligopeptide complexes with nickel(II) and copper(II) ions.
Młynarz Piotr, Gaggelli Nicola, Panek Jarosław, Stasiak M., Valensin Gianni, Kowalik-Jankowska Teresa, Leplawy Mirosław T., Latajka Zdzisław, Kozłowski Henryk
Theoretical study of aluminum and gallium atom complexes with CO2, CS2 and COS.
Panek Jarosław, Latajka Zdzisław