@article{MTMT:34104723,
	title = {Preparation and Testing of a Palladium-Decorated Nitrogen-Doped Carbon Foam Catalyst for the Hydrogenation of Benzophenone},
	url = {https://m2.mtmt.hu/api/publication/34104723},
	author = {Prekob, Ádám and Hajdu, Viktória and Fejes, Zsolt and Kristály, Ferenc and Viskolcz, Béla and Vanyorek, László},
	doi = {10.3390/ijms241512211},
	journal-iso = {INT J MOL SCI},
	journal = {INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES},
	volume = {24},
	unique-id = {34104723},
	issn = {1661-6596},
	abstract = {Catalytic activity of a palladium catalyst with a porous carbon support was prepared and tested for benzophenone hydrogenation. The selectivity and yields toward the two possible reaction products (benzhydrol and diphenylmethane) can be directed by the applied solvent. It was found that in isopropanol, the prepared support was selective towards diphenylmethane with high conversion (99% selectivity and 99% benzophenone conversion on 323 K after 240 min). This selectivity might be explained by the presence of the incorporated structural nitrogens in the support.},
	year = {2023},
	eissn = {1422-0067},
	orcid-numbers = {Fejes, Zsolt/0000-0003-1402-4313; Kristály, Ferenc/0000-0002-0075-5994}
}

@article{MTMT:33607275,
	title = {Urethane formation in the presence of 2,2-dimorpholinodiethylether (DMDEE) and 1,4-dimethylpiperazine (DMP) – A combined experimental and theoretical study},
	url = {https://m2.mtmt.hu/api/publication/33607275},
	author = {Qasim, Hadeer Waleed and Viskolcz, Béla and Fejes, Zsolt and Fiser, Béla},
	doi = {10.1016/j.comptc.2023.114045},
	journal-iso = {COMPUT THEOR CHEM},
	journal = {COMPUTATIONAL AND THEORETICAL CHEMISTRY},
	volume = {1221},
	unique-id = {33607275},
	issn = {2210-271X},
	year = {2023},
	eissn = {2210-2728},
	orcid-numbers = {Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@inproceedings{MTMT:33226793,
	title = {Experimental and Theoretical Study of Urethane Formation in the Presence of Amine Catalyst},
	url = {https://m2.mtmt.hu/api/publication/33226793},
	author = {Qasim, Hadeer Waleed and Fejes, Zsolt and Viskolcz, Béla and Fiser, Béla},
	booktitle = {Symposium on Polyurethane Innovation - SPI 2022, Conference publications},
	unique-id = {33226793},
	year = {2022},
	pages = {28-35},
	orcid-numbers = {Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@article{MTMT:33042031,
	title = {Aliphatic Tertiary Amine Catalysed Urethane Formation – A Combined Experimental and Theoretical Study},
	url = {https://m2.mtmt.hu/api/publication/33042031},
	author = {Qasim, Hadeer Waleed and Csécsi, Marcell Dániel and Konyhás, Vivien and Boros, Renáta Zsanett and Viskolcz, Béla and Fejes, Zsolt and Fiser, Béla},
	doi = {10.1039/D2CP00728B},
	journal-iso = {PHYS CHEM CHEM PHYS},
	journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
	volume = {24},
	unique-id = {33042031},
	issn = {1463-9076},
	abstract = {A kinetic and mechanistic investigation of the alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile in the presence of different tertiary amine catalysts was undertaken. The reaction...},
	year = {2022},
	eissn = {1463-9084},
	pages = {20538-20545},
	orcid-numbers = {Boros, Renáta Zsanett/0000-0002-3458-3609; Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@article{MTMT:32946786,
	title = {Experimental and Theoretical Study of Cyclic Amine Catalysed Urethane Formation},
	url = {https://m2.mtmt.hu/api/publication/32946786},
	author = {Qasim, Hadeer Waleed and Pecsmány , Dániel János and Csécsi, Marcell Dániel and Farkas, László and Viskolcz, Béla and Fejes, Zsolt and Fiser, Béla},
	doi = {10.3390/polym14142859},
	journal-iso = {POLYMERS-BASEL},
	journal = {POLYMERS},
	volume = {14},
	unique-id = {32946786},
	abstract = {The alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH)
		in acetonitrile in the presence of different cyclic amine catalysts was examined using a combined
		kinetic and mechanistic approach. The molecular mechanism of urethane formation without and
		in the presence of cyclic amine catalysts was studied using the G3MP2BHandHLYP composite
		method in combination with the SMD implicit solvent model. It was found that the energetics of the
		model reaction significantly decreased in the presence of catalysts. The computed and measured
		thermodynamic properties were in good agreement with each other. The results prove that amine
		catalysts are important in urethane synthesis. Based on the previous and current results, the design
		of new catalysts will be possible in the near future.},
	year = {2022},
	eissn = {2073-4360},
	orcid-numbers = {Farkas, László/0000-0003-4328-486X; Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@article{MTMT:32578549,
	title = {Computational study of catalytic urethane formation},
	url = {https://m2.mtmt.hu/api/publication/32578549},
	author = {Qasim, Hadeer Waleed and Csécsi, Marcell Dániel and Hadjadj, Rachid and Thangaraj, Ravikumar and Pecsmány , Dániel János and Owen, Michael Christopher and Szőri, Milán and Fejes, Zsolt and Viskolcz, Béla and Fiser, Béla},
	doi = {10.3390/polym14010008},
	journal-iso = {POLYMERS-BASEL},
	journal = {POLYMERS},
	volume = {14},
	unique-id = {32578549},
	abstract = {Polyurethanes (PUs) are widely used in different applications, and thus various synthetic procedures including one or more catalysts are applied to prepare them. For PU foams, the most important catalysts are nitrogen-containing compounds. Therefore, in this work, the catalytic effect of eight different nitrogen-containing catalysts on urethane formation will be examined. The reactions of phenyl isocyanate (PhNCO) and methanol without and in the presence of catalysts have been studied and discussed using the G3MP2BHandHLYP composite method. The solvent effects have also been considered by applying the SMD implicit solvent model. A general urethane formation mechanism has been proposed without and in the presence of the studied catalysts. The proton affinities (PA) were also examined. The barrier height of the reaction significantly decreased (∆E0 > 100 kJ/mol) in the presence of the studied catalysts, which proves the important effect they have on urethane formation. The achieved results can be applied in catalyst design and development in the near future. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.},
	keywords = {ESTERS; CATALYSTS; CATALYSTS; Solvents; DFT; DFT; Computational studies; Polyurethane foam; Catalytic effects; PROTON AFFINITIES; Design for testability; Proton affinity; Composite method; Composite method; catalyst-free; catalyst-free; Synthetic procedures; ]+ catalyst; Urethane formation; Urethane formation},
	year = {2022},
	eissn = {2073-4360},
	orcid-numbers = {Szőri, Milán/0000-0003-4895-0999; Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@article{MTMT:32785146,
	title = {The Catalytic Effect of DBU on Urethane Formation – A Computational Study},
	url = {https://m2.mtmt.hu/api/publication/32785146},
	author = {Qasim, Hadeer Waleed and Csécsi, Marcell Dániel and Hadjadj, Rachid and Thangaraj, Ravikumar and Owen, Michael Christopher and Szőri, Milán and Fejes, Zsolt and Viskolcz, Béla and Fiser, Béla},
	journal-iso = {MATER SCI ENGINEERING MISKOLC},
	journal = {MATERIALS SCIENCE AND ENGINEERING: A PUBLICATION OF THE UNIVERSITY OF MISKOLC},
	volume = {46},
	unique-id = {32785146},
	issn = {2063-6792},
	year = {2021},
	pages = {70-77},
	orcid-numbers = {Szőri, Milán/0000-0003-4895-0999; Fejes, Zsolt/0000-0003-1402-4313; Fiser, Béla/0000-0003-0603-4626}
}

@article{MTMT:31806376,
	title = {Hydrogenation of benzophenone by carbon-supported Pd catalysts},
	url = {https://m2.mtmt.hu/api/publication/31806376},
	author = {Prekob, Ádám and Vanyorek, László and Fejes, Zsolt},
	doi = {10.1016/j.mtchem.2020.100409},
	journal-iso = {MATER TODAY CHEM},
	journal = {MATERIALS TODAY CHEMISTRY},
	volume = {19},
	unique-id = {31806376},
	issn = {2468-5194},
	year = {2021},
	eissn = {2468-5194},
	orcid-numbers = {Fejes, Zsolt/0000-0003-1402-4313}
}

@article{MTMT:31341855,
	title = {Activity and selectivity of noble metal decorated nitrogen-doped carbon nanotubes supported on zeolite spheres in catalytic hydrogenation of benzophenone},
	url = {https://m2.mtmt.hu/api/publication/31341855},
	author = {Prekob, Ádám and Hajdu, Viktória and Vanyorek, László and Muránszky, Gábor and Fejes, Zsolt},
	doi = {10.1080/01932691.2020.1775639},
	journal-iso = {J DISPER SCI TECHNOL},
	journal = {JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY},
	volume = {40},
	unique-id = {31341855},
	issn = {0193-2691},
	year = {2020},
	eissn = {1532-2351},
	pages = {1-6},
	orcid-numbers = {Fejes, Zsolt/0000-0003-1402-4313}
}

@article{MTMT:30814270,
	title = {Urethane Formation with an Excess of Isocyanate or Alcohol: Experimental and Ab Initio Study},
	url = {https://m2.mtmt.hu/api/publication/30814270},
	author = {CHEIKH, Wafaa and Rózsa, Zsófia Borbála and Camacho López, Christian Orlando and Mizsey, Péter and Viskolcz, Béla and Szőri, Milán and Fejes, Zsolt},
	doi = {10.3390/polym11101543},
	journal-iso = {POLYMERS-BASEL},
	journal = {POLYMERS},
	volume = {11},
	unique-id = {30814270},
	year = {2019},
	eissn = {2073-4360},
	pages = {1543-1554},
	orcid-numbers = {Rózsa, Zsófia Borbála/0000-0002-7881-7921; Mizsey, Péter/0000-0002-6976-6210; Szőri, Milán/0000-0003-4895-0999; Fejes, Zsolt/0000-0003-1402-4313}
}