D. Michalska

发表

The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory

Danuta Michalska, D. Michalska, R. Wysokiński, 2005 .

Mortar Dating Methodology: Assessing Recurrent Issues and Needs for Further Research

I. Hajdas, G. Artioli, F. Marzaioli, 2017, Radiocarbon.

FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.

D. Michalska, N. Sundaraganesan, H. Saleem, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Nature of the interaction between ammonia derivatives and carbon disulfide. A theoretical investigation

D. Michalska, W. Zierkiewicz, M. Michalczyk, 2017 .

Multiproxy paleoceanographic study from the western Barents Sea reveals dramatic Younger Dryas onset followed by oscillatory warming trend

D. Michalska, M. Zajączkowski, W. Szczuciński, 2020, Scientific Reports.

Radiocarbon Dating of Mortars and Charcoals from Novae Bath Complex: Sequential Dissolution of Historical and Experimental Mortar Samples with Pozzolanic Admixture

D. Michalska, M. Mrozek-Wysocka, 2020, Radiocarbon.

Influence of different pretreatments on mortar dating results

D. Michalska, 2019, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms.

Analysis of Charcoal and Wood from Czarnowko Site (Pomerania Region, Poland): 14C Dating Versus Relative Chronology Show Consistent Evidence of Wielbark Culture Presence

D. Michalska, M. Benýšek, E. Fabisiak, 2017, Radiocarbon.

Methodological Aspect of Mortars Dating (Poznań, Poland, MODIS)

D. Michalska, T. Goslar, J. Czernik, 2017, Radiocarbon.

Chronology of multicultural site Sowinki in Greater Poland

D. Michalska, Andrzej Krzyszowski, 2017 .

Carbonates in leaching reactions in context of 14C dating

D. Michalska, J. Czernik, 2015 .

Pnictogen bonding in pyrazine•PnX5 (Pn = P, As, Sb and X = F, Cl, Br) complexes

P. Hobza, A. Růžička, D. Michalska, 2017, Journal of Molecular Modeling.

On the nature of halogen bonded complexes between carbonyl bases and chlorotrifluoromethane

D. Michalska, W. Zierkiewicz, D. Bieńko, 2015, Theoretical Chemistry Accounts.

Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers.

D. Michalska, W. Zierkiewicz, T. Zeegers-Huyskens, 2010, Physical chemistry chemical physics : PCCP.

Revised molecular structure and vibrational spectra of tetraaqua(orotato)nickel(II) monohydrate: band assignment based on density functional calculations

D. Michalska, R. Wysokiński, T. Głowiak, 2002 .

Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study

R. Szostak, D. Michalska, R. Wysokiński, 2007 .

Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies † † The authors dedicate this paper to Professor Henryk Chojnacki on the occasion of his 70th birthday.

D. Michalska, R. Wysokiński, J. Kuduk-Jaworska, 2006 .

Molecular Structure and Bonding in Platinum-Picoline Anticancer Complex: Density Functional Study

D. Michalska, R. Wysokiński, 2004 .

Theoretical study of the interaction of a proton with the O, F and Cl atoms of enflurane (CHFCl–CF2–O–CHF2)

D. Michalska, W. Zierkiewicz, T. Zeegers-Huyskens, 2009 .

The crystal structure, infrared, Raman and density functional studies of bis(2-aminophenyl) diselenide

D. Michalska, W. Zierkiewicz, A. Pietraszko, 2011 .

Theoretical Study of the Acidity and Basicity of the Cytosine Tautomers and Their 1:1 Complexes with Water

D. Michalska, A. K. Chandra, T. Zeegers-Huyskens, 2004 .

Preparation and Dating of Mortar Samples—Mortar Dating Inter-Comparison Study (MODIS)

I. Hajdas, G. Artioli, F. Marzaioli, 2017, Radiocarbon.

Investigation of lime mortars and plasters from archaeological excavations in Hippos (Israel) using Electron Paramagnetic Resonance

R. Krzyminiewski, B. Dobosz, D. Michalska, 2014 .

Theoretical Raman and infrared spectra, and vibrational assignment for para-halogenoanilines: DFT study.

D. Michalska, Piotr M Wojciechowski, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine

D. Michalska, R. Wysokiński, D. Bieńko, 2006 .

Ab initio study of the infrared spectrum of methylenecyclopropene

L. J. Schaad, D. Michalska, B. Hess, 1985 .

Vibrational spectra of 5,6-dihydrouracil. An experimental matrix isolation, solid state and theoretical study

D. Michalska, D. Bieńko, M. J. Nowak, 2002 .

Density functional and ab initio studies of the molecular structures and vibrational spectra of metal triiodides, MI 3 (M=As, Sb, Bi)

D. Michalska, R. Wysokiński, T. Petrenko, 2002 .

Theoretical study of the interaction between cytosine and hydrogen peroxide

D. Michalska, R. Wysokiński, D. Bieńko, 2005 .

Structures and vibrational spectra of indolecarboxylic acids. Part II. 5-Methoxyindole-2-carboxylic acid

D. Michalska, A. Pietraszko, B. Morzyk-Ociepa, 2004 .

A POTENTIOMETRIC STUDY OF METAL ION COMPLEXES OF ANTINEOPLASTON A10, A NEW ANTITUMOUR AGENT

D. Michalska, W. Wojciechowski, B. Morzyk, 1996 .

INTERACTION OF METAL IONS WITH 3,3-DIMETHYLGLUTARIMIDE

D. Michalska, W. Wojciechowski, B. Morzyk, 1995 .

Theoretical and experimental studies of enflurane. Infrared spectra in solution, in low-temperature argon matrix and blue shifts resulting from dimerization.

D. Michalska, D. Bieńko, B. Czarnik-Matusewicz, 2007, The journal of physical chemistry. B.

Molecular Structure and Infrared Spectra of 4-Fluorophenol: A Combined Theoretical and Spectroscopic Study

D. Michalska, W. Zierkiewicz, M. Rospenk, 2003 .

Changes in oak wood buried in waterlogged peat: shrinkage as a complementary indicator of the wood degradation rate

D. Michalska, W. Prądzyński, M. Zborowska, 2019, European Journal of Wood and Wood Products.

The first Ni(II) complexes of 5-nitroorotate ligand with the tridentate and bidentate coordination modes. Crystal and molecular structures, vibrational spectra and magnetic properties

D. Michalska, A. Pietraszko, M. Duczmal, 2013 .

Copper(II)–π interaction in cis-[Cu(orotato)(NH3)2] and the crystal structure of [Cu(orotato)(H2O)4] · H2O: X-ray, vibrational spectroscopy and density functional study

D. Michalska, R. Wysokiński, A. Pietraszko, 2007 .

Picoplatin-based complexes with the bioactive orotate and 5-fluoroorotate ligands: Synthesis, DFT calculations, structure, spectroscopic characterization and in vitro cytotoxicity

D. Michalska, W. Zierkiewicz, Justyna Trynda, 2018, Journal of Molecular Structure.

Matrix isolation infrared spectroscopic and quantum chemical studies on the rotational isomers of orotic acid (6-carboxyuracil)

D. Michalska, R. Wysokiński, M. J. Nowak, 2013 .

A novel complex of orotic acid (vitamin B13) with nickel, [Ni(HOr)(NH3)2(H2O)2]: Crystal structure, vibrational spectra and density functional study

D. Michalska, R. Wysokiński, A. Pietraszko, 2010 .

Unusual noncovalent interaction between the chelated Cu(II) ion and the pi bond in the vitamin B(13) complex, cis-diammine(orotato)copper(II): theoretical and vibrational spectroscopy studies.

D. Michalska, R. Wysokiński, W. Zierkiewicz, 2009, The journal of physical chemistry. B.

VIBRATIONAL SPECTROSCOPIC STUDIES AND NORMAL COORDINATE ANALYSIS OF A GLUTARIMIDATO-PALLADIUM(II) COMPLEX, trans-K2[Pd(C5H6NO2)2Cl2] 4.5H2O

D. Michalska, M. Marchewka, B. Morzyk, 1999 .

Two novel complexes of glutarimide with palladium(II) trans-K2[Pd(C5H6NO2)2Cl2]·4.5H2O and trans-KNa[Pd(C5H6NO2)2Cl2]·6H2O. Crystal structures and vibrational spectra

D. Michalska, W. Wojciechowski, B. Morzyk, 1996 .

Structures and vibrational spectra of indole carboxylic acids. Part I. Indole-2-carboxylic acid

D. Michalska, A. Pietraszko, B. Morzyk-Ociepa, 2004 .

Revised crystal and molecular structure, FT-IR spectra and DFT studies of chlorotetrakis(imidazole)copper(II) chloride

D. Michalska, E. Różycka-Sokołowska, B. Morzyk-Ociepa, 2012 .

Vibrational spectra and reinvestigation of the crystal structure of a polymeric copper(II)–orotate complex, [Cu(μ-HOr)(H2O)2]n: The performance of new DFT methods, M06 and M05-2X, in theoretical studies

D. Michalska, R. Wysokiński, A. Pietraszko, 2011 .

Metal-organic frameworks in cadmium(II) complexes with 5-methoxyindole-2-carboxylic acid: structure, vibrational spectra and DFT calculations

D. Michalska, Karolina Dysz, I. Turowska-Tyrk, 2016 .

New Zn(II) coordination polymer of indole-3-acetic acid, a plant-growth promoting hormone: Crystal structure, spectroscopic characterization, DFT calculations and microbiological activity

D. Michalska, D. Günther, O. Oeckler, 2020 .

X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde

D. Michalska, I. Turowska-Tyrk, B. Morzyk-Ociepa, 2017 .

Platinum(II) and copper(II) complexes of 7-azaindole-3-carboxaldehyde: crystal structures, IR and Raman spectra, DFT calculations and in vitro antiproliferative activity of the platinum(II) complex

E. Turlej, D. Michalska, Markus Nentwig, 2019, Inorganica Chimica Acta.

Mid infrared vibrational circular dichroism in (S-(-)-epoxypropane

D. Michalska, P. Polavarapu, 1984 .

VIBRATIONAL CIRCULAR DICHROISM OF α-PHENYLETHYLAMINE

D. Michalska, P. Polavarapu, J. Neergaard, 1984 .

Vibrational circular dichroism of .alpha.-phenylethylamine

D. Michalska, P. Polavarapu, J. Neergaard, 1984 .

The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumor drugs: cisplatin and carboplatin

Rafa Wysokiski, Danuta Michalska, D. Michalska, 2001, J. Comput. Chem..

Vibrational spectra of 1-methylthyminate complexes with mercury(II) and potassium and ab initio calculations of the 1-MeT anion

D. Michalska, B. Morzyk-Ociepa, Barbara Morzyk-Ociepa, 2001 .

Molecular structure of the novel 3-coordinated Hg(II) complex, aqua-bis(3,3-Dimethylglutarimidato)mercury (II)

D. Michalska, W. Wojciechowski, T. Głowiak, 1999 .

Vibrational spectra of 1-methyluracilate complex with silver(I) and theoretical studies of the 1-MeU anion.

D. Michalska, B. Morzyk-Ociepa, 2003, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Reinvestigation of the crystal structure, vibrational spectroscopic studies and DFT calculations of 5-bromo-7-azaindole with dual N–H⋅⋅⋅N hydrogen bonds in dimers

D. Michalska, Karolina Dysz, I. Turowska-Tyrk, 2015 .

On the Measurement of Vibrational Circular Dichroism of a Single Enantiomer on Fourier Transform Infrared Spectrometers

D. Michalska, P. Polavarapu, D. Back, 1984 .

Vibrational circular dichroism in (S)-(−)-epoxypropane. Measurement in vapor phase and verification of the perturbed degenerate mode theory

D. Michalska, P. Polavarapu, 1983 .

Fourier Transform Infrared Spectroscopy as a Powerful Tool for the Study of Carbohydrates in Aqueous Solutions

D. Michalska, P. Polavarapu, D. Back, 1984 .

New Isomorphous Complexes of Co(Ii) and Zn(Ii) with the 5-Nitroorotate Ligand: Crystal and Molecular Structures, Spectroscopic and Dft Studies, Magnetic Properties and Antimicrobial Activities

D. Michalska, R. Wysokiński, A. Kędziora, 2022, SSRN Electronic Journal.

Structure of 2-cyano-4-phenyl-glutarimide studied by X-ray diffraction, vibrational spectroscopy and ab initio methods

J. Borrell, J. Teixidó, D. Michalska, 1998 .

The Raman and IR spectra and normal coordinate analysis of 3-(N-phenylacetylamino)-2,6-piperidinedione, Antineoplaston A10, the new antitumour drug

D. Michalska, 1993 .

Vibrational spectra of 1-methylthymine: matrix isolation, solid state and theoretical studies.

D. Michalska, M. J. Nowak, B. Morzyk-Ociepa, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Infrared matrix isolation spectra of 1-methyluracil: Revised assignment based on the Hartree–Fock and post-Hartree–Fock studies

D. Michalska, D. Bieńko, M. J. Nowak, 1997 .

Vibrational properties and DFT calculations of the perovskite metal formate framework of [(CH3)2NH2][Ni(HCOO3)] system.

M. Ma̧czka, D. Michalska, W. Zierkiewicz, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Radiation Defects in Lime Mortars and Plasters Studied by EPR Spectroscopy

B. Dobosz, D. Michalska, Z. Kabacińska, 2020, Radiocarbon.

FOURIER-TRANSFORM RAMAN AND INFRARED SPECTRA AND VIBRATIONAL ASSIGNMENT FOR SOLID GLUTARIMIDE

D. Michalska, J. Baran, B. Morzyk, 1999 .

Molecular and electronic structures, infrared spectra, and vibrational assignment for ap and sc conformers of hexafluoro-iso-propanol

D. Michalska, D. Bieńko, B. Czarnik-Matusewicz, 2008 .

Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies

D. Michalska, D. Bieńko, Z. Latajka, 1999 .

Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study

Pavel Hobza, Danuta Michalska, Wiktor Zierkiewicz, 2003 .

Mineralogy and microstructure of the Morasko meteorite crust

D. Michalska, A. Duczmal-Czernikiewicz, 2018, Planetary and Space Science.

Theoretical Study of the Interaction between Uracil and Hydrogen Peroxide

D. Michalska, R. Wysokiński, D. Bieńko, 2003 .

Theoretical investigation of the halogen bonded complexes between carbonyl bases and molecular chlorine

Danuta Michalska, Wiktor Zierkiewicz, Dariusz C. Bienko, 2015, J. Comput. Chem..

Vibrational spectra of Cu(II), Cu(I), Ni(II), Pd(II), Pt(II) and Hg(II) complexes with dithizone

D. Michalska, A. T. Kowal, 1985 .

The barrier to internal rotation and electronic effects in para-halogenophenols: theoretical study

P. Hobza, D. Michalska, W. Zierkiewicz, 2004 .

Potentiometric and spectroscopic studies of the complex formation in the 6-methyl-2-thiouracil and copper(II) ion system

D. Michalska, M. Nowak, M. Skrobańska, 2022, Polyhedron.

Ab initio second order Møller-Plesset calculation of the vibrational spectra of C4 clusters

L. J. Schaad, B. A. Hess, H. Chojnacki, 1987 .

The effect of correlation energy /mp2/ on computed vibrational frequencies /

L. J. Schaad, D. Michalska, Andes B. Hess, 1986 .

Basis set effects and the choice of reference geometry in ab initio calculations of vibrational spectra

L. J. Schaad, C. S. Ewig, D. Michalska, 1988 .

MNDO studies on the structure of antineoplaston A10, glutarimide and piperidine

D. Michalska, 1991 .

An ab initio study of the vibrational spectrum of bicyclo[1.1.0]but-1(3)-ene

W. D. Allen, L. J. Schaad, H. Schaefer, 1987 .

Raman and infrared spectroscopy, DFT calculations, and vibrational assignment of the anticancer agent picoplatin: performance of long-range corrected/hybrid functionals for a platinum(II) complex.

D. Michalska, R. Wysokiński, W. Zierkiewicz, 2014, The journal of physical chemistry. A.

Assessment of new DFT methods for predicting vibrational spectra and structure of cisplatin: which density functional should we choose for studying platinum(II) complexes?

D. Michalska, Magdalena Malik, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Sodium and lithium one-dimensional coordination polymers with 1H-indazole-3-carboxylic acid: Crystal structures, vibrational spectra and DFT calculations

D. Michalska, D. Günther, Markus Nentwig, 2020 .

Glutarimide: a carrier transporting drug through cell membranes.

D. Michalska, D. Bieńko, W. Wojciechowski, 2000, Medical hypotheses.

Cation–π complexes between alkali metal cation and para -halogenophenols. Structures, binding energies and thermodynamic properties: DFT study and CCSD(T) complete basis set limit calculations

J. Černý, P. Hobza, D. Michalska, 2006 .

Crystal structures, vibrational spectra and DFT calculations of five halogeno-derivatives of 7-azaindole (3Br7AI, 4Br7AI, 4Cl7AI, 3Br4Cl7AI and 5Br3Cl7AI): a comparative study

D. Michalska, Karolina Dysz, I. Turowska-Tyrk, 2018 .

The calculation of infrared intensities

L. J. Schaad, B. A. Hess, C. S. Ewig, 1985 .

The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine.

J. Černý, P. Hobza, D. Michalska, 2008, The journal of physical chemistry. B.

Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen bonds: WFT and DFT study.

P. Hobza, D. Michalska, W. Zierkiewicz, 2010, Physical chemistry chemical physics : PCCP.

Modeled and Measured Carbon Isotopic Composition and Petrographically Estimated Binder-Aggregate Ratio—Recipe for Binding Material Dating?

D. Michalska, J. Pawlyta, 2019, Radiocarbon.

Cretaceous aggregate and reservoir effect in dating of binding materials

M. Żurakowska, D. Michalska, J. Czernik, 2013 .

Radiocarbon dating of lime plaster from a Roman period cistern in ancient Gerasa, Jerash in Jordan

A. Lichtenberger, R. Raja, D. Michalska, 2022, Journal of Archaeological Science: Reports.

S⋯N chalcogen bonded complexes of carbon disulfide with diazines. Theoretical study

P. Hobza, D. Michalska, W. Zierkiewicz, 2018 .

Blue shifts and unusual intensity changes in the infrared spectra of the enflurane···acetone complexes: spectroscopic and theoretical studies.

D. Michalska, W. Zierkiewicz, B. Czarnik-Matusewicz, 2011, The journal of physical chemistry. A.

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

P. Hobza, D. Michalska, W. Zierkiewicz, 2011, Physical chemistry chemical physics : PCCP.

Experimental and theoretical study of the vibrational spectra of halothane

D. Michalska, B. Czarnik-Matusewicz, C. Sandorfy, 2006 .

Analysis and characterization of historic mortars for absolute dating.

I. Hajdas, G. Artioli, F. Marzaioli, 2016 .

A field guide to mortar sampling for radiocarbon dating*

I. Hajdas, J. Heinemeier, J. Olsen, 2020, Archaeometry.

The theoretical structure of tricyclo[3.1.0.02,6]hex-1(6)-ene and the potential isolation of bicyclo[1.1.0]but-1(3)-ene

L. J. Schaad, B. A. Hess, D. Michalska, 1987 .

Theoretical anharmonic Raman and infrared spectra with vibrational assignments for monofluoroaniline isomers

D. Michalska, Piotr M Wojciechowski, K. Helios, 2011 .

A novel coordination polymer of 7-azaindole-3-carboxylic acid with sodium ions: crystal and molecular structures, vibrational spectra and DFT calculations

D. Michalska, I. Turowska-Tyrk, R. Petrus, 2017 .

Mortar Dating Methodology: Intercomparison of Available Methods

I. Hajdas, F. Marzaioli, F. Terrasi, 2016 .

Density Functional, Hartree−Fock, and MP2 Studies on the Vibrational Spectrum of Phenol

Danuta Michalska, D. Michalska, D. Bieńko, 1996 .

New trans-dichloropalladium(II) complexes of 7-azaindole: Crystal and molecular structures, FT-IR, FT-Raman and DFT studies

D. Michalska, Karolina Dysz, I. Turowska-Tyrk, 2016 .

“Troublesome” Vibrations of Aromatic Molecules in Second-Order Möller−Plesset and Density Functional Theory Calculations: Infrared Spectra of Phenol and Phenol-OD Revisited

D. Michalska, W. Zierkiewicz, D. Bieńko, 2001 .

Theoretical studies of the interaction between enflurane and water

D. Michalska, W. Zierkiewicz, T. Zeegers-Huyskens, 2012, Journal of Molecular Modeling.

Near-Infrared Spectrum (3000–10 000 cm−1) of 4-Chlorophenol in Solution

D. Michalska, T. Zeegers-Huyskens, M. Rospenk, 2002 .

A comparative study on cisplatin analogs containing 7-azaindole (7AIH) and its seven halogeno-derivatives: Vibrational spectra, DFT calculations and in vitro antiproliferative activity. Crystal and molecular structure of cis-[PtCl2(4Br7AIH)2]·DMF

E. Turlej, D. Michalska, Markus Nentwig, 2019, Polyhedron.

Crystal structure, infrared and EPR spectra and anticancer activity in vitro of the novel manganese(II) complexes of indolecarboxylic acids

D. Michalska, J. Wietrzyk, E. Różycka-Sokołowska, 2014 .

Ab initio and DFT studies of the interaction between carbonyl and thiocarbonyl groups: the role of S···O chalcogen bonds

P. Hobza, D. Michalska, W. Zierkiewicz, 2016, Theoretical Chemistry Accounts.

Comparison of whole genome amplification and nested-PCR methods for preimplantation genetic diagnosis for BRCA1 gene mutation on unfertilized oocytes–a pilot study

D. Michalska, J. Liss, K. Łukaszuk, 2013, Hereditary cancer in clinical practice.

Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X3CH...OH2 and XH...OH2 complexes (X = F, Cl, Br, I): A correlated Ab initio study.

P. Hobza, D. Michalska, W. Zierkiewicz, 2002, Chemphyschem : a European journal of chemical physics and physical chemistry.

X-ray crystal structure, vibrational spectra and DFT calculations of 3-chloro-7-azaindole: a case of dual N-H⋯N hydrogen bonds in dimers.

D. Michalska, I. Turowska-Tyrk, Barbara Morzyk-Ociepa, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

INFRARED MATRIX ISOLATION AND THEORETICAL STUDIES ON GLUTARIMIDE

D. Michalska, D. Bieńko, S. Roszak, 1997 .

Identification of the characteristic, anomeric bands in the infrared spectrum of lyxose in aqueous solution.

D. Michalska, P. Polavarapu, D. Back, 1984, Carbohydrate research.