ANNOUNCEMENTS

!! WE ARE HIRING !! The post-doc position is open in Kasia's EuXFEL grant entitled "Support for Polish EuXFEL users – Supervision, Part II (2022–26)". More information in both Polish and English can be obtained here: [LINK - PL] [LINK - EN]

LINKS

Publications

43.

Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes

K. Durka, S. Luliński, K. N. Jarzembska, J. Smętek, J. Serwatowski, K. Woźniak

Acta Crystallographica Section B, 2014, 70, 157 (reprint)

DOI: 10.1107/S2052520613034987

Special issue entitled “Crystal Engineering”

42.

Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P-C5H4N-PO3H)2(H2O)2]n [MII = Co, Zn, Cd]

M. Wilk, K. N. Jarzembska, J. Janczak, M. Duczmal, J. Hoffmann, V. Videnova-Adrabinska

RSC Advances, 2014, 4, 58858

DOI: 10.1039/C4RA10257F

41.

Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates

C. F. A. Negre, K. J. Young, M. Belén Oviedo, L. J. Allen, C. n. G. Sánchez, K. N. Jarzembska, J. B. Benedict, R. H. Crabtree, P. Coppens, G. W. Brudvig, V. S. Batista

Journal of the Americal Chemical Society , 2014, 136, 16420

DOI: 10.1021/ja509270f

40.

Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments

R. Kamiński, S. Domagała, K. N. Jarzembska, A. A. Hoser, W. F. Sanjuan-Szklarz, M. J. Gutmann, A. Makal, M. Malińska, J. M. Bąk, K. Woźniak

Acta Crystallographica Section A, 2014, 70, 72 (reprint)

DOI: 10.1107/S2053273313028313

39.

Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved Laue diffraction study of an AgI-CuI tetranuclear complex

K. N. Jarzembska, R. Kamiński, B. Fournier, E. Trzop, J. D. Sokolow, R. Henning, Y. Chen, P. Coppens

Inorganic Chemistry, 2014, 53, 10594

DOI: 10.1021/ic501696y

38.

An optical chopper for generation of short X-ray pulses to allow in-house time-resolved photocrystallography

R. Kamiński, J. B. Benedict, G. Nottingham, P. Coppens

Journal of Applied Crystallography, 2014, 47, 1765 (reprint)

DOI: 10.1107/S160057671401961X

37.

First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate

K. N. Jarzembska, R. Kamiński, Ł. Dobrzycki, M. K. Cyrański

Acta Crystallographica Section B, 2014, 70, 847 (reprint)

DOI: 10.1107/S2052520614017570

36.

Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polioxotitanate nanoparticles

K. N. Jarzembska, Y. Chen, J. N. Nasca, E. Trzop, D. F. Watson, P. Coppens

Physical Chemistry Chemical Physics, 2014, 16, 15792

DOI: 10.1039/C4CP02509A

35.

Synthesis, crystal structure and computational studies of 4-nitrobenzylphosphonic acid

M. Wilk, K. N. Jarzembska, J. Janczak, J. Hoffman, V. Videnova-Adrabinska

Journal of Molecular Structure, 2014, 1074, 240

DOI: 10.1016/j.molstruc.2014.05.052

34.

Combined experimental and computational studies of pyrazinamide and nicotinamide in the context of crystal engineering and thermodynamics

K. N. Jarzembska, A. A. Hoser, R. Kamiński, A. Ø. Madsen, K. Durka, K. Woźniak

Crystal Growth & Design, 2014, 14, 3453

DOI: 10.1021/cg500376z

33.

Substituent and solvent effects on intermolecular interactions in crystals of N-acylhydrazone derivatives: single-crystal X-ray, solid-state NMR and computational studies

L. Mazur, K. N. Jarzembska, R. Kamiński, K. Woźniak, E. Pindelska, M. Zielińska-Pisklak

Crystal Growth & Design, 2014, 14, 2263

DOI: 10.1021/cg401866x

32.

A comparative study of transferable aspherical pseudoatom databank and classical force fields for predicting electrostatic interactions in molecular dimers

P. Kumar, S. Bojarowski, K. N. Jarzembska, S. Domagała, K. Vanommeslaeghe, A. MacKerell, P. M. Dominiak

Journal of Chemical Theory and Computation, 2014, 10, 1652

DOI: 10.1021/ct4011129

31.

Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole

A. Poulain, E. Wenger, P. Durand, K. N. Jarzembska, R. Kamiński, P. Fertey, M. Kubicki, C. Lecomte

IUCrJ, 2014, 1, 110 (reprint)

DOI: 10.1107/S2052252514002838

30.

Sunitinib: from charge-density studies to interaction with proteins

M. Malińska, K. N. Jarzembska, A. M. Goral, A. Kutner, K. Woźniak, P. M. Dominiak

Acta Crystallographica Section D, 2014, 70, 1257 (reprint)

DOI: 10.1107/S1399004714002351

29.

Hoogsteen-Watson-Crick 9-methyladenine:1-methylthymine complex: charge density study in the context of crystal engineering and nucleic acid base pairing

K. N. Jarzembska, A. M. Goral, R. Gajda, P. M. Dominiak

Crystal Growth & Design, 2013, 13, 239

DOI: 10.1021/cg301393e

28.

Nanotubular hydrogen-bonded organic framework architecture of 1,2-phenylenediboronic acid hosting ice clusters

K. Durka, K. N. Jarzembska, R. Kamiński, S. Luliński, J. Serwatowski, K. Woźniak

Crystal Growth & Design, 2013, 13, 4181

DOI: 10.1021/cg401087j

27.

Interplay between charge density distribution, crystal structure energetic features, and crystal morphology of 6-methyl-2-thiouracil

K. N. Jarzembska, R. Kamiński, E. Wenger, C. Lecomte, P. M. Dominiak

Journal of Physical Chemistry C, 2013, 117, 7764

DOI: 10.1021/jp312158m

26.

CLUSTERGEN: a program for molecular cluster generation from crystallographic data

R. Kamiński, K. N. Jarzembska, S. Domagała

Journal of Applied Crystallography, 2013, 46, 540 (reprint)

DOI: 10.1107/S0021889813002173

25.

New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011 – towards nucleic acid modelling

K. N. Jarzembska, P. M. Dominiak

Acta Crystallographica Section A, 2012, 68, 139 (reprint)

DOI: 10.1107/S0108767311042176

24.

Structural and energetic landscape of fluorinated 1,4-phenylenediboronic acids

K. Durka, K. N. Jarzembska, R. Kamiński, S. Luliński, J. Serwatowski, K. Woźniak

Crystal Growth & Design, 2012, 12, 3720

DOI: 10.1021/cg3005272

Virtual special issue entitled “In honor of Prof. Gautam R. Desiraju”

23.

Differences in charge density distribution and stability of two polymorphs of benzidine dihydrochloride

A. A. Hoser, K. N. Jarzembska, Ł. Dobrzycki, M. J. Gutmann, K. Woźniak

Crystal Growth & Design, 2012, 12, 3526

DOI: 10.1021/cg300337a

22.

From a single molecule to molecular crystal architectures: structural and energetic studies of selected uracil derivatives

K. N. Jarzembska, M. Kubsik, R. Kamiński, K. Woźniak, P. M. Dominiak

Crystal Growth & Design, 2012, 12, 2508

DOI: 10.1021/cg300129z

21.

Controlled crystallization, structure, and molecular properties of iodoacetylamphotericin B

K. N. Jarzembska, D. Kamiński, A. A. Hoser, M. Malińska, B. Senczyna, K. Woźniak, M. Gagoś

Crystal Growth & Design, 2012, 12, 2336

DOI: 10.1021/cg2017227

20.

The role of the C-H···π interactions in the cyclisation reactions leading to new aryl-bridged tetraazamacrocyclic complexes of copper and nickel

R. Kamiński, J. Kowalski, I. Mames, B. Korybut-Daszkiewicz, S. Domagała, K. Woźniak

European Journal of Inorganic Chemistry, 2011, 479

DOI: 10.1002/ejic.201000818

19.

Macrocyclic multicenter complexes of nickel and copper of increasing complexity

J. Małecka, U. Lewandowska, R. Kamiński, I. Mames, A. Więckowska, R. Bilewicz, B. Korybut-Daszkiewicz, K. Woźniak

Chemistry – a European Journal, 2011, 17, 12385

DOI: 10.1002/chem.201100342

18.

On the nature of Ni···Ni interaction in a model dimeric Ni complex

R. Kamiński, B. Herbaczyńska, M. Srebro, A. Pietrzykowski, A. Michalak, L. B. Jerzykiewicz, K. Woźniak

Physical Chemistry Chemical Physics, 2011, 13, 10280

DOI: 10.1039/c0cp01984d

17.

Polymorphism of a model arylboronic azaester: combined experimental and computational studies

K. Durka, A. A. Hoser, R. Kamiński, S. Luliński, J. Serwatowski, W. Koźmiński, K. Woźniak

Crystal Growth & Design, 2011, 11, 1835

DOI: 10.1021/cg200032e

16.

Latent thermo-switchable olefin metathesis initiators bearing a pyridyl-functionalized chelating carbene: influence of the leaving group’s rigidity on the catalyst’s performance

A. Szadkowska, X. Gstrein, D. Burtscher, K. Jarzembska, K. Woźniak, C. Slugovc, K. Grela

Organometallics, 2010, 29, 117

DOI: 10.1021/om900857w

15.

LASER – a program for response-ratio refinement of time-resolved diffraction data

I. Vorontsov, S. Pillet, R. Kamiński, M. S. Schmøkel, P. Coppens

Journal of Applied Crystallography, 2010, 43, 1129 (reprint)

DOI: 10.1107/S0021889810029900

14.

Data scaling and temperature calibration in time-resolved photocrystallographic experiments.

M. S. Schmøkel, R. Kamiński, J. B. Benedict, P. Coppens

Acta Crystallographica Section A, 2010, 66, 632 (reprint)

DOI: 10.1107/S0108767310029429

13.

On the nature of the B···N interaction and the conformational flexibility of arylboronic azaesters

K. Durka, R. Kamiński, S. Luliński, J. Serwatowski, K. Woźniak

Physical Chemistry Chemical Physics, 2010, 12, 13126

DOI: 10.1039/c0cp00030b

12.

Constrained excited-state structure in molecular crystals by means of the QM/MM approach: toward the prediction of photocrystallographic results

R. Kamiński, M. S. Schmøkel, P. Coppens

Journal of Physical Chemistry Letters, 2010, 1, 2349

DOI: 10.1021/jz100809q

11.

An experimental charge density of HEPES

P. Śledź, R. Kamiński, M. Chruszcz, M. D. Zimmerman, W. Minor, K. Woźniak

Acta Crystallographica Section B, 2010, 66, 482 (reprint)

DOI: 10.1107/S0108768110023025

10.

Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs

Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, P. Lipkowski, K. N. Jarzembska, P. M. Dominiak, J. Leszczynski

Journal of Physical Chemistry B, 2010, 114, 9629

DOI: 10.1021/jp101258q

9.

On R factors for dynamic structure crystallography

P. Coppens, R. Kamiński, M. S. Schmøkel

Acta Crystallographica Section A, 2010, 66, 626 (reprint)

DOI: 10.1107/S0108767310021227

8.

Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography

R. Kamiński, T. Graber, J. B. Benedict, R. Henning, Y.-S. Chen, S. Scheins, M. Messerschmidt, P. Coppens

Journal of Synchrotron Radiation, 2010, 17, 479 (reprint)

DOI: 10.1107/S0909049510019710

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