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M. Boczar · SciRah

Researcher profile · Semantic Scholar

M. Boczar

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M. Boczar — researcher profile on SciRah

h-index: 18
Works: 58
Citations: 866

Most-cited papers

Heterogeneity of OH groups in NaHZSM-5 zeolite studied by infrared spectroscopy
J. Datka, M. Boczar, P. Rymarowicz
198880 citations
Semantic Scholar
THEORETICAL MODELING OF INFRARED SPECTRA OF ASPIRIN AND ITS DEUTERATED DERIVATIVE
M. Boczar, M. Wójcik, Krzysztof Szczeponek, D. Jamróz +2 more
200362 citations Open access
Semantic Scholar
Theoretical modeling of infrared spectra of benzoic acid and its deuterated derivative
M. Boczar, Krzysztof Szczeponek, M. Wójcik, C. Paluszkiewicz
200454 citations Open access
Semantic Scholar
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.
Mateusz Z. Brela, J. Stare, Gordana Pirc, M. Sollner-Dolenc +3 more
2012Journal of Physical Chemistry B53 citations Open access
Semantic Scholar
Theoretical and spectroscopic study of hydrogen bond vibrations in imidazole and its deuterated derivative
M. Wójcik, Jacek Kwiendacz, M. Boczar, Łukasz Boda +1 more
201041 citations Open access
Semantic Scholar
Theoretical model for a tetrad of hydrogen bonds and its application to interpretation of infrared spectra of salicylic acid.
M. Boczar, Łukasz Boda, M. Wójcik
2006Journal of Chemical Physics38 citations Open access
Semantic Scholar
Heterogeneity of hydroxyl groups in zeolites studied by IR spectroscopy
J. Datka, M. Boczar, Barbara Gil
199533 citations
Semantic Scholar
Theoretical modeling of infrared spectra of hydrogen-bonded crystals of salicylic acid.
M. Boczar, Lukasz Boda, M. Wójcik
2006Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy32 citations Open access
Semantic Scholar
Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV)
M. Mitoraj, R. Kurczab, M. Boczar, A. Michalak
2010Journal of Molecular Modeling27 citations Open access
Semantic Scholar
Theoretical model of infrared spectra of hydrogen bonds in molecular crystals and its application to interpretation of infrared spectra of 1-methylthymine.
M. Boczar, Łukasz Boda, M. Wójcik
2006Journal of Chemical Physics27 citations Open access
Semantic Scholar
Theoretical and spectroscopic study of infrared spectra of hydrogen-bonded 1-methyluracil crystal and its deuterated derivative.
M. Boczar, Jacek Kwiendacz, M. Wójcik
2008Journal of Chemical Physics26 citations Open access
Semantic Scholar
Theoretical modeling of the O-H stretching IR bands of hydrogen-bonded dimers of benzoic acid in S(0) and S(1) electronic states.
M. Boczar, Lukasz Boda, M. Wójcik
2007Journal of Chemical Physics25 citations Open access
Semantic Scholar
Born-Oppenheimer Molecular Dynamics Study on Proton Dynamics of Strong Hydrogen Bonds in Aspirin Crystals, with Emphasis on Differences between Two Crystal Forms.
Mateusz Z. Brela, M. Wójcik, Łukasz J. Witek, M. Boczar +3 more
2016Journal of Physical Chemistry B24 citations Open access
Semantic Scholar
Heterogeneity of hydroxyl groups in zeolites
J. Datka, M. Boczar, Barbara Gil
199323 citations
Semantic Scholar
Spectroscopic and theoretical study of vibrational spectra of hydrogen‐bonded tropolone
M. Wójcik, M. Boczar, M. Stoma
199921 citations
Semantic Scholar
Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds.
Mateusz Z. Brela, M. Wójcik, M. Boczar, Łukasz J. Witek +2 more
2015Journal of Physical Chemistry B20 citations Open access
Semantic Scholar
Theoretical modeling of infrared spectra of salicylaldehyde and its deuterated derivatives
M. Boczar, M. Wójcik, Krzysztof Szczeponek, D. Jamróz +1 more
200220 citations
Semantic Scholar
Car-Parrinello simulation of the vibrational spectra of strong hydrogen bonds with isotopic substitution effects: application to oxalic acid dihydrate
Mateusz Z. Brela, M. Wójcik, M. Boczar, R. Hashim
201319 citations Open access
Semantic Scholar
Theoretical study of proton tunneling in the excited state of tropolone.
M. Wójcik, Łukasz Boda, M. Boczar
2009Journal of Chemical Physics18 citations Open access
Semantic Scholar
Car–Parrinello molecular dynamics simulations of infrared spectra of crystalline imidazole
Jacek Kwiendacz, M. Boczar, M. Wójcik
201116 citations Open access
Semantic Scholar
Theoretical Study of Multidimensional Proton Tunnelling in Benzoic Acid Dimer
M. Wójcik, Krzysztof Szczeponek, M. Boczar
200315 citations Open access
Semantic Scholar
Study of hydrogen bond dynamics in Nylon 6 crystals using IR spectroscopy and molecular dynamics focusing on the differences between α and γ crystal forms
Mateusz Z. Brela, M. Wójcik, M. Boczar, E. Onishi +3 more
201814 citations Open access
Semantic Scholar
Theoretical and spectroscopic studies of vibrational spectra of hydrogen bonds in molecular crystal of β-oxalic acid
M. Boczar, R. Kurczab, M. Wójcik
201014 citations Open access
Semantic Scholar
The effect of partial dehydroxylation and pyridine sorption on the strength of OH groups in NaHZSM-5 zeolite
J. Datka, M. Boczar
199114 citations
Semantic Scholar
Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of Benzylamine
Mateusz Z. Brela, Alja Prah, M. Boczar, J. Stare +1 more
2019Molecules12 citations Open access
Semantic Scholar
Ab initio study of energies, structures and vibrational spectra of the complexes of water with carbon oxysulfide and nitrous oxide
M. Wójcik, M. Boczar, T. Ford
200112 citations
Semantic Scholar
Interaction of benzene and n-hexane molecules with OH-groups of various acid strengths in NaHZSM-5 zeolite
J. Datka, M. Boczar
199311 citations
Semantic Scholar
The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak CH⋯OC hydrogen bonds
Mateusz Z. Brela, M. Boczar, M. Wójcik, H. Sato +2 more
201710 citations Open access
Semantic Scholar
Spectroscopic signature for ferroelectric ice
M. Wójcik, Maciej Gług, M. Boczar, Łukasz Boda
201410 citations Open access
Semantic Scholar
Spectroscopic and theoretical study of vibrational spectra of hydrogen-bonded 2-pyridone
M. Wójcik, Wiktor Tatara, M. Boczar, A. Apola +1 more
200110 citations
Semantic Scholar
Rotor-vibrator couplings in partially deuterated toluenes
W. Siebrand, M. Zgierski, F. Zerbetto, M. Wójcik +4 more
19979 citations
Semantic Scholar
Spectroscopic and theoretical study of vibrational spectra of hydrogen-bonded 2,4-dithiouracil
M. Wójcik, M. Boczar, M. Wieczorek, Wiktor Tatara
20008 citations
Semantic Scholar
Analysis of librational modes of ice XI studied by Car–Parrinello molecular dynamics
Maciej Gług, M. Boczar, Łukasz Boda, M. Wójcik
20157 citations Open access
Semantic Scholar
A Comparison of the Hydrogen Bond Interactions Dynamics in the Guanine and Cytosine Crystals: Ab Initio Molecular Dynamics and Spectroscopic Study.
Mateusz Z. Brela, Oskar Klimas, Ewa Surmiak, M. Boczar +2 more
2019Journal of Physical Chemistry A6 citations Open access
Semantic Scholar
Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid.
Maciej Gług, Mateusz Z. Brela, M. Boczar, A. Turek +4 more
2017Journal of Physical Chemistry B6 citations Open access
Semantic Scholar
Investigation of hydrogen bonds properties in the terephthalic acid crystal, using molecular dynamics method.
E. Wierzbicka, M. Boczar, M. Wójcik
2014Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy6 citations Open access
Semantic Scholar
The hydrogen bond interaction dynamics inpolyvinylphenol: studied by Born-Oppenheimer Molecular Dynamics
Mateusz Z. Brela, Yuliia Didovets, M. Boczar, H. Sato +2 more
2022Chemical Physics Letters5 citations Open access
Semantic Scholar
A comparison of the hydrogen bond interaction dynamics in the adenine and thymine crystals: BOMD and spectroscopic study.
Mateusz Z. Brela, Oskar Klimas, M. Boczar, T. Nakajima +1 more
2020Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy5 citations Open access
Semantic Scholar
Proton dynamics in crystalline tropolone studied by Born-Oppenheimer molecular simulations
Mateusz Z. Brela, M. Wójcik, M. Boczar, Łukasz J. Witek +3 more
2018Chemical Physics Letters5 citations Open access
Semantic Scholar
THE CRAFT IN USE AT THE RIVERGATE OF THE DUNAJEC
M. Boczar
19665 citations
Semantic Scholar
Theoretical Study of Proton Tunneling in the Imidazole–Imidazolium Complex
Łukasz Boda, M. Boczar, M. Wójcik, T. Nakajima
2021Journal of Physical Chemistry A4 citations Open access
Semantic Scholar
Spectroscopic study of uracil, 1-methyluracil and 1-methyl-4-thiouracil: Hydrogen bond interactions in crystals and ab-initio molecular dynamics.
Mateusz Z. Brela, M. Boczar, Leszek M. Malec, M. Wójcik +1 more
2018Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy4 citations Open access
Semantic Scholar
Quantum-mechanical and Car–Parrinello molecular dynamics simulations of infrared spectra of crystalline imidazole
M. Wójcik, Jacek Kwiendacz, M. Boczar, Łukasz Boda +1 more
20144 citations Open access
Semantic Scholar
Theoretical Studies of Dynamic Interactions in Excited States of Hydrogen-Bonded Systems
M. Wójcik, M. Boczar, Łukasz Boda
20123 citations Open access
Semantic Scholar
Molecular Modelling of DNA Cytosine Methylation
Wojciech Łach, Mateusz Z. Brela, M. Boczar, Marek J. Wójcik +1 more
2024Journal of Molecular Structure2 citations Open access
Semantic Scholar
Theoretical simulation of the infrared spectrum of salicylaldehyde
M. Boczar, M. Wójcik, Krzysztof Szczeponek, D. Jamróz +1 more
20022 citations
Semantic Scholar
TRANSIENT KINETICS OF CHARGE SEPARATION IN SOLUTIONS
J. Najbar, M. Boczar, A. Turek
19932 citations
Semantic Scholar
Quantum-mechanical study of energies, structures and vibrational spectra of the HF complexed with dimethyl ether
Łukasz Boda, M. Boczar, Mateusz Z. Brela, M. Wójcik +1 more
2019Chemical Physics Letters1 citations Open access
Semantic Scholar
Molecular dynamics simulations of vibrational spectra of hydrogen-bonded systems
Mateusz Z. Brela, M. Boczar, Łukasz Boda, M. Wójcik
20181 citations Open access
Semantic Scholar
Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether.
Łukasz Boda, M. Boczar, Maciej Gług, M. Wójcik
2015Journal of Chemical Physics1 citations Open access
Semantic Scholar

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