Marek Wojcik

Marek Wojcik

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Marek Wojcik

Marek Wojcik

Publications by authors named "Marek Wojcik"

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Towards accurate infrared spectral density of weak H-bonds in absence of relaxation mechanisms.

Spectrochim Acta A Mol Biomol Spectrosc 2019 Jan 6;207:197-208. Epub 2018 Sep 6.

Laboratoire de Mathématiques et Physique (LAMPS), Université de Perpignan Via Domitia (UPVD), 52 Av. Paul Alduy, Perpignan Cedex 66860, France.

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http://dx.doi.org/10.1016/j.saa.2018.09.003DOI Listing
January 2019

25(OH)D Concentration in Neonates, Infants, and Toddlers From Poland-Evaluation of Trends During Years 1981-2011.

Front Endocrinol (Lausanne) 2018 8;9:656. Epub 2018 Nov 8.

Department of Biochemistry, Radioimmunology and Experimental Medicine, The Children's Memorial Health Institute, Warsaw, Poland.

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http://dx.doi.org/10.3389/fendo.2018.00656DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6235911PMC
November 2018

Oxygen out-diffusion and compositional changes in zinc oxide during ytterbium ions bombardment.

Nanotechnology 2018 Oct 7;29(42):425710. Epub 2018 Aug 7.

Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw, Poland.

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http://dx.doi.org/10.1088/1361-6528/aad881DOI Listing
October 2018

Spectroscopic study of uracil, 1-methyluracil and 1-methyl-4-thiouracil: Hydrogen bond interactions in crystals and ab-initio molecular dynamics.

Spectrochim Acta A Mol Biomol Spectrosc 2018 May 31;197:194-201. Epub 2018 Jan 31.

RIKEN, Advanced Institute for Computational Science, 7-1-26, Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo 650-0047, Japan.

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http://dx.doi.org/10.1016/j.saa.2018.01.050DOI Listing
May 2018

Equivalence between the Classical and Quantum IR Spectral Density Approaches of Weak H-Bonds in the Absence of Damping.

J Phys Chem A 2018 Mar 20;122(8):2108-2115. Epub 2018 Feb 20.

Laboratory of Molecular Spectroscopy, Faculty of Chemistry, Jagiellonian University , Gronostajowa 2, 30-387 Krakow, Poland.

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http://dx.doi.org/10.1021/acs.jpca.8b00269DOI Listing
March 2018

Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid.

Spectrochim Acta A Mol Biomol Spectrosc 2017 Oct 13;185:35-44. Epub 2017 May 13.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1016/j.saa.2017.05.024DOI Listing
October 2017

Vitamin D: Musculoskeletal health.

Rev Endocr Metab Disord 2017 09;18(3):363-371

Department of Biochemistry, Radioimmunology & Experimental Medicine at The Children's Memorial Health Institute, Warsaw, Masovian District, Poland.

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http://dx.doi.org/10.1007/s11154-016-9404-xDOI Listing
September 2017

Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations.

J Phys Chem A 2017 May 28;121(18):3437-3451. Epub 2017 Apr 28.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University , Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/acs.jpca.7b02053DOI Listing
May 2017

Electrical anharmonicity in hydrogen bonded systems: complete interpretation of the IR spectra of the Cl-H[combining right harpoon above] stretching band in the gaseous (CH)OHCl complex.

Phys Chem Chem Phys 2017 Feb;19(8):5917-5931

RIKEN Advanced Institute for Computational Science, 7-1-26 Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo 650-0047, Japan.

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http://dx.doi.org/10.1039/c7cp00165gDOI Listing
February 2017

Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid.

J Phys Chem B 2017 01 17;121(3):479-489. Epub 2017 Jan 17.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University , Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.6b10617DOI Listing
January 2017

Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region.

J Phys Chem A 2016 Aug 2;120(31):6170-83. Epub 2016 Aug 2.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University , Sanda, Hyogo 669-1337, Japan.

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http://pubs.acs.org/doi/10.1021/acs.jpca.6b04470
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http://dx.doi.org/10.1021/acs.jpca.6b04470DOI Listing
August 2016

A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols.

Phys Chem Chem Phys 2016 05;18(19):13666-82

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1039/c6cp00924gDOI Listing
May 2016

Born-Oppenheimer Molecular Dynamics Study on Proton Dynamics of Strong Hydrogen Bonds in Aspirin Crystals, with Emphasis on Differences between Two Crystal Forms.

J Phys Chem B 2016 04 20;120(16):3854-62. Epub 2016 Apr 20.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University , Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.6b01601DOI Listing
April 2016

Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether.

J Chem Phys 2015 Nov;143(20):204302

Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland.

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http://dx.doi.org/10.1063/1.4935805DOI Listing
November 2015

Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds.

J Phys Chem B 2015 Jun 11;119(25):7922-30. Epub 2015 Jun 11.

∥Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.5b02777DOI Listing
June 2015

Optimization of permeabilization process of yeast cells for catalase activity using response surface methodology.

Biotechnol Biotechnol Equip 2015 Jan 9;29(1):72-77. Epub 2015 Jan 9.

Department of Chemical and Biochemical Engineering, Faculty of Chemical Technology and Engineering, University of Technology and Life Sciences , Bydgoszcz , Poland.

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http://dx.doi.org/10.1080/13102818.2014.934986DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4434045PMC
January 2015

Investigation of hydrogen bonds properties in the terephthalic acid crystal, using molecular dynamics method.

Spectrochim Acta A Mol Biomol Spectrosc 2014 Sep 16;130:488-93. Epub 2014 Apr 16.

Department of Physical Chemistry & Electrochemistry, Faculty of Chemistry, Jagiellonian University in Krakow, Ingardena 3, 30060 Krakow, Poland. Electronic address:

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http://dx.doi.org/10.1016/j.saa.2014.03.125DOI Listing
September 2014

Improving the magnetic properties of Co-CoO systems by designed oxygen implantation profiles.

ACS Appl Mater Interfaces 2013 May 1;5(10):4320-7. Epub 2013 May 1.

Instituut voor Kern- en Stralingsfysica, KU Leuven, Leuven, Belgium.

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http://dx.doi.org/10.1021/am400529rDOI Listing
May 2013

Car-Parrinello simulation of the vibrational spectrum of a medium strong hydrogen bond by two-dimensional quantization of the nuclear motion: application to 2-hydroxy-5-nitrobenzamide.

J Phys Chem B 2012 Apr 6;116(15):4510-8. Epub 2012 Apr 6.

Laboratory for Biocomputing and Bioinformatics, National Institute of Chemistry, Ljubljana, Slovenia.

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http://dx.doi.org/10.1021/jp2094559DOI Listing
April 2012

Hydrogen bonding effects on the wavenumbers and absorption intensities of the OH fundamental and the first, second, and third overtones of phenol and 2,6-dihalogenated phenols studied by visible/near-infrared/infrared spectroscopy.

J Phys Chem A 2011 Sep 16;115(35):9845-53. Epub 2011 Aug 16.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University , Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/jp201733nDOI Listing
September 2011

Solvent dependence of absorption intensities and wavenumbers of the fundamental and first overtone of NH stretching vibration of pyrrole studied by near-infrared/infrared spectroscopy and DFT calculations.

J Phys Chem A 2011 Feb 3;115(7):1194-8. Epub 2011 Feb 3.

Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan.

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http://dx.doi.org/10.1021/jp108548rDOI Listing
February 2011

Theoretical study of proton tunneling in the excited state of tropolone.

J Chem Phys 2009 Apr;130(16):164306

Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland.

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http://dx.doi.org/10.1063/1.3115721DOI Listing
April 2009

Theoretical and spectroscopic study of infrared spectra of hydrogen-bonded 1-methyluracil crystal and its deuterated derivative.

J Chem Phys 2008 Apr;128(16):164506

Faculty of Chemistry, Jagiellonian University, 30-060 Kraków, Ingardena 3, Poland.

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http://dx.doi.org/10.1063/1.2906125DOI Listing
April 2008

Highly spin-polarized materials and devices for spintronics.

Sci Technol Adv Mater 2008 Jan 13;9(1):014101. Epub 2008 Mar 13.

Institute of Physics, Polish Academy of Sciences, Warszawa 02-668, Poland.

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http://dx.doi.org/10.1088/1468-6996/9/1/014101DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5099796PMC
January 2008

Theoretical modeling of the O-H stretching IR bands of hydrogen-bonded dimers of benzoic acid in S(0) and S(1) electronic states.

J Chem Phys 2007 Aug;127(8):084307

Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland.

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http://aip.scitation.org/doi/10.1063/1.2766951
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http://dx.doi.org/10.1063/1.2766951DOI Listing
August 2007

Theoretical model of infrared spectra of hydrogen bonds in molecular crystals and its application to interpretation of infrared spectra of 1-methylthymine.

J Chem Phys 2006 Aug;125(8):084709

Faculty of Chemistry, Jagiellonian University, 30-060 Kraków, Ingardena 3, Poland.

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http://dx.doi.org/10.1063/1.2335843DOI Listing
August 2006

Theoretical modeling of infrared spectra of hydrogen-bonded crystals of salicylic acid.

Spectrochim Acta A Mol Biomol Spectrosc 2006 Jun 18;64(3):757-60. Epub 2006 Jan 18.

Faculty of Chemistry, Jagiellonian University, 30-060 Kraków, Ingardena 3, Poland.

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http://linkinghub.elsevier.com/retrieve/pii/S138614250500450
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http://dx.doi.org/10.1016/j.saa.2005.06.049DOI Listing
June 2006

Theoretical model for a tetrad of hydrogen bonds and its application to interpretation of infrared spectra of salicylic acid.

J Chem Phys 2006 Feb;124(8):084306

Faculty of Chemistry, Jagiellonian University, 30-060 Kraków, Ingardena 3, Poland.

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http://dx.doi.org/10.1063/1.2167355DOI Listing
February 2006

Theoretical interpretation of the line shape of the gaseous acetic acid cyclic dimer.

J Chem Phys 2005 Feb;122(6):064306

Laboratoire de Mathématiques et Physique des Systèmes (MEPS), EA 3680, Université de Perpignan, 52 avenue de Villeneuve 66860 Perpignan cedex, France.

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http://dx.doi.org/10.1063/1.1847491DOI Listing
February 2005