DFT Studies of H3N―X (X = Li, Na, K, Rb, Cs and Fr) Systems

Z. Latajka , R. Wieczorek , P. Durlak
Polish Journal of Chemistry 83 ( 5) 761 -769

1
2009
Poly-His and poly-Gln sequences in bacterial proteins: tempting sites for metal ions to interact with

Maurizio Remelli , H. Kozlowski , D. Witkowska , Remo Guerrini
Medimond – Monduzzi Editore International Proceedings Division 1 -4

2013
Synthesis, structural, spectroscopic, computational and cytotoxic studies of BODIPY dyes

M. Laine , N.A. Barbosa , A. Kochel , B. Osiecka
Sensors and Actuators B-chemical 238 548 -555

17
2017
Studies of viomycin, an anti-tuberculosis antibiotic: copper(II) coordination, DNA degradation and the impact on delta ribozyme cleavage activity

K. Stokowa-Sołtys , N. A. Barbosa , A. Kasprowicz , R. Wieczorek
Dalton Transactions 45 ( 20) 8645 -8658

8
2016
8
2018
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes

B. Silvi , R. Wieczorek , Z. Latajka , M. E. Alikhani
The Journal of Chemical Physics 111 ( 15) 6671 -6678

47
1999
Uncapping the N-terminus of a ubiquitous His-tag peptide enhances its Cu2+ binding affinity

J. Wątły , A. Hecel , R. Wieczorek , J. Świątek-Kozłowska
Dalton Transactions 48 ( 36) 13567 -13579

4
2019
Dielectric relaxation and molecular conformational energy of some arylazo benzothiazine derivatives

M. Kozłowski , H.A. Kołodziej , R. Wieczorek , Z. Latajka
Chemical Physics 252 ( 3) 289 -299

1
2000
Analysis of Infrared Spectra of Neat Liquid N-Methylpyrrole

K.B. Beć , R. Wieczorek , B. Łydżba-Kopczyńska , J.P. Hawranek
Acta Physica Polonica A 124 ( 1) 115 -121

4
2013
Experimental and theoretical UV characterizations of acetylacetone and its isomers.

S. Coussan , Y. Ferro , A. Trivella , M. Rajzmann
Journal of Physical Chemistry A 110 ( 11) 3920 -3926

44
2006
Ab initio calculations and matrix infrared spectra of the nitrous acid complexes with HF and HCl

aw Latajka , Zofia Mielke , Adriana Olbert-Majkut , Robert Wieczorek
Physical Chemistry Chemical Physics 1 ( 10) 2441 -2448

21
1999
Matrix isolation and DFT studies of nitrous acid complexes with nitrogen dioxide

Adriana Olbert-Majkut , Zofia Mielke , Robert Wieczorek , Zdzisław Latajka
International Journal of Quantum Chemistry 90 ( 3) 1140 -1150

7
2002
The unusual binding mechanism of Cu(II) ions to the poly-histidyl domain of a peptide found in the venom of an African viper.

Fabio Pontecchiani , Eyal Simonovsky , Robert Wieczorek , Nuno Barbosa
Dalton Transactions 43 ( 44) 16680 -16689

17
2014
Matrix Infrared Spectra and ab Initio Calculations of the Nitrous Acid Complexes with Nitrogen Monoxide

Zofia Mielke , Zdzisław Latajka , Adriana Olbert-Majkut , Robert Wieczorek
Journal of Physical Chemistry A 104 ( 16) 3764 -3769

10
2000
2
2019
Crystal Engineering of 1-Halopolyynes by End-Group Manipulation

Bartłomiej Pigulski , Nurbey Gulia , Patrycja Męcik , Robert Wieczorek
Crystal Growth & Design 19 ( 11) 6542 -6551

2019
Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study

Wiktor Zierkiewicz , Robert Wieczorek , Pavel Hobza , Danuta Michalska
Physical Chemistry Chemical Physics 13 ( 11) 5105 -5113

39
2011
Molecular orbital calculations of water clusters on counterpoise-corrected potential energy surfaces

Robert Wieczorek , Laury Haskamp , J. J. Dannenberg
Journal of Physical Chemistry A 108 ( 32) 6713 -6723

36
2004
2-(Hydroxyimino)propanohydroxamic acid, a new effective ligand for aluminium

Elzbieta Gumienna-Kontecka , Guy Berthon , Igor O. Fritsky , Robert Wieczorek
Journal of The Chemical Society-dalton Transactions ( 22) 4201 -4208

20
2000
Enthalpies of Hydrogen-Bonds in α-Helical Peptides. An ONIOM DFT/AM1 Study

Robert Wieczorek , J. J. Dannenberg
Journal of the American Chemical Society 127 ( 42) 14534 -14535

39
2005