Publications by authors named "Mateusz Brela"

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Structure-Property Relationship between Hard Segments of Shape Memory Polyurethane Copolymers and Interchain Hydrogen Bonds: A Comprehensive Theoretical Study.
Yuliia Didovets, Mateusz Z Brela

J Phys Chem B· October 2025

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Light-Controlled Anticancer Activity and Cellular Uptake of a Photoswitchable Cisplatin Analogue.
Marta Stolarek, Kamil Kaminski, Marta Kaczor-Kamińska, Magdalena Obłoza, Piotr Bonarek, Mateusz Brela

J Med Chem· November 2024

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Ab Initio Study of H-Bond Dynamics in Three-Component Crystals Comprising (DABCOH ) Polycationic Chains.
Leszek M Malec, Mateusz Z Brela, Katarzyna M Stadnicka

Chemphyschem· February 2023

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Near-Infrared fluorescent unsymmetrical aza-BODIPYs: Synthesis, photophysics and TD-DFT calculations.
Arkadiusz Gut, Justyna Ciejka, Jakub Makuszewski, Izabela Majewska, Mateusz Brela

Spectrochim Acta A Mol Biomol Spectrosc· April 2022

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Unravelling the nature of a toluene-fumaronitrile complex.
Andrzej J Kałka, Mateusz Z Brela, Andrzej M Turek

Phys Chem Chem Phys· August 2021

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A comparison of the hydrogen bond interaction dynamics in the adenine and thymine crystals: BOMD and spectroscopic study.
Mateusz Z Brela, Oskar Klimas, Marek Boczar, Takahito Nakajima, Marek J Wójcik

Spectrochim Acta A Mol Biomol Spectrosc· August 2020

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Comparison of the Hydrogen Bond Interaction Dynamics in the Guanine and Cytosine Crystals: Ab Initio Molecular Dynamics and Spectroscopic Study.
Mateusz Z Brela, Oskar Klimas, Ewa Surmiak, Marek Boczar, Takahito Nakajima

J Phys Chem A· December 2019

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Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of Benzylamine.
Mateusz Z Brela, Alja Prah, Marek Boczar, Jernej Stare, Janez Mavri

Molecules· November 2019

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Understanding the Structure of the Hydrogen Bond Network and Its Influence on Vibrational Spectra in a Prototypical Aprotic Ionic Liquid.
Mateusz Z Brela, Piotr Kubisiak, Andrzej Eilmes

J Phys Chem B· October 2018

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Spectroscopic study of uracil, 1-methyluracil and 1-methyl-4-thiouracil: Hydrogen bond interactions in crystals and ab-initio molecular dynamics.
Mateusz Z Brela, Marek Boczar, Leszek M Malec, Marek J Wójcik, Takahito Nakajima

Spectrochim Acta A Mol Biomol Spectrosc· May 2018

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The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study.
Filip Šebesta, Mateusz Z Brela, Silvia Diaz, Sebastian Miranda, Jane S Murray

J Comput Chem· December 2017

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ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems.
Piotr Talaga, Mateusz Z Brela, Artur Michalak

J Mol Model· December 2017

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ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.
Silvia Díaz, Mateusz Z Brela, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé, Artur Michalak

J Comput Chem· September 2017

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Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid.
Maciej Gług, Mateusz Z Brela, Marek Boczar, Andrzej M Turek, Łukasz Boda

J Phys Chem B· January 2017

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Explicit Solvent Modeling of IR and UV-Vis Spectra of 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid.
Andrzej Eilmes, Piotr Kubisiak, Mateusz Brela

J Phys Chem B· October 2016

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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, Marek J Wójcik, Łukasz J Witek, Marek Boczar, Ewa Wrona

J Phys Chem B· April 2016

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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, Marek J Wójcik, Marek Boczar, Łukasz Witek, Mitsuru Yasuda

J Phys Chem B· June 2015

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Analysis of the bonding between two M(μ-NAr(#)) monomers in the dimeric metal(II) imido complexes {M(μ-NAr(#))}2 [M = Si, Ge, Sn, Pb; Ar(#) = C6H3-2,6-(C6H2-2,4,6-R3)2]. The stabilizing role played by R = Me and iPr.
Mateusz Brela, Artur Michalak, Philip P Power, Tom Ziegler

Inorg Chem· February 2014

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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 Brela, Jernej Stare, Gordana Pirc, Marija Sollner-Dolenc, Marek Boczar

J Phys Chem B· April 2012

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