@article{MTMT:34750269,
	title = {Theoretical dynamics studies of the CH 3 + HBr -> CH 4 + Br reaction: effects of isotope substitution and vibrational excitation of CH 3},
	url = {https://m2.mtmt.hu/api/publication/34750269},
	author = {Szabó, Péter and Lendvay, György},
	doi = {10.1039/D3CP05610D},
	journal-iso = {PHYS CHEM CHEM PHYS},
	journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
	volume = {2024},
	unique-id = {34750269},
	issn = {1463-9076},
	abstract = {In this work, we determined the reaction rate coefficient for the deuterium substituted reactions of CH 3 + HBr -> CH 4 + Br using the quasiclassical trajectory (QCT) method in combination...},
	year = {2024},
	eissn = {1463-9084},
	orcid-numbers = {Lendvay, György/0000-0002-2150-0376}
}

@article{MTMT:34395371,
	title = {Temperature and Pressure Dependence of the Reaction between Ethyl Radical and Molecular Oxygen: Experiments and Master Equation Simulations},
	url = {https://m2.mtmt.hu/api/publication/34395371},
	author = {Pekkanen, Timo T. and Timonen, Raimo S. and Ramu, Elli A. and Lendvay, György and Eskola, Arkke J.},
	doi = {10.1021/acs.jpca.2c07780},
	journal-iso = {J PHYS CHEM A},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	volume = {127},
	unique-id = {34395371},
	issn = {1089-5639},
	year = {2023},
	eissn = {1520-5215},
	pages = {1302-1313},
	orcid-numbers = {Lendvay, György/0000-0002-2150-0376; Eskola, Arkke J./0000-0002-2249-2726}
}

@article{MTMT:34101432,
	title = {Experimental and Theoretical Study of the Kinetics of the CH 3 + HBr → CH 4 + Br Reaction and the Temperature Dependence of the Activation Energy of CH 4 + Br → CH 3 + HBr},
	url = {https://m2.mtmt.hu/api/publication/34101432},
	author = {Bedjanian, Yuri and Szabó, Péter and Lendvay, György},
	doi = {10.1021/acs.jpca.3c03685},
	journal-iso = {J PHYS CHEM A},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	volume = {127},
	unique-id = {34101432},
	issn = {1089-5639},
	year = {2023},
	eissn = {1520-5215},
	pages = {6916-6923},
	orcid-numbers = {Bedjanian, Yuri/0000-0001-5383-5130; Szabó, Péter/0000-0002-0271-4846; Lendvay, György/0000-0002-2150-0376}
}

@article{MTMT:34074424,
	title = {Diols Speed Up Guanidine Base Catalysed Claisen‐Schmidt Condensation to Produce New 15‐Arylidene Steroids},
	url = {https://m2.mtmt.hu/api/publication/34074424},
	author = {Ispán, Dávid and Küzdő, Áron and Fonyó, Máté and Gömöry, Ágnes and Tumanov, Nikolay and Wouters, Johan and Mahó, Sándor and Lendvay, György and Skodáné Földes, Rita},
	doi = {10.1002/ejoc.202300560},
	journal-iso = {EUR J ORG CHEM},
	journal = {EUROPEAN JOURNAL OF ORGANIC CHEMISTRY},
	volume = {26},
	unique-id = {34074424},
	issn = {1434-193X},
	abstract = {Considerable acceleration was observed in the guanidine-base catalysed Claisen-Schmidt condensation of benzaldehyde and a 17α-methyl-18-nor-5α,13α-androstan-16-one (1) in the presence of ethylene glycol. Rate-enhancement effects of various alcohols and diols were compared. In quantum chemical calculations, coordination of the carbonyl group of the substrate was found to reduce the potential barrier to the proton transfer from the α carbon and thus facilitate the formation of the anion that attacks the aldehyde. Both the experiments and the calculations showed that diols enhance the reactivity more efficiently than alcohols. Ethylene glycol/guanidine-base mixtures were found to be efficient catalysts and solvents in the synthesis of a range of new 17α-methyl-18-nor-13α-15-arylidene steroids. This solvent mixture has a further advantage: the crude products can be isolated by simple extraction after introduction of CO2. It is also shown that by the proper choice of the base, the base/diol mixture can be recycled.},
	year = {2023},
	eissn = {1099-0690},
	orcid-numbers = {Ispán, Dávid/0000-0002-6698-0078; Gömöry, Ágnes/0000-0001-5216-0135; Lendvay, György/0000-0002-2150-0376; Skodáné Földes, Rita/0000-0002-9810-1509}
}

@article{MTMT:33251552,
	title = {An experimental and theoretical kinetic study of t-butyl radical reaction with molecular oxygen},
	url = {https://m2.mtmt.hu/api/publication/33251552},
	author = {Eskola, Arkke J. and Pekkanen, Timo T. and Lendvay, György and Timonen, Raimo S.},
	doi = {10.1016/j.proci.2022.06.003},
	journal-iso = {P COMBUST INST},
	journal = {PROCEEDINGS OF THE COMBUSTION INSTITUTE},
	volume = {39},
	unique-id = {33251552},
	issn = {1540-7489},
	year = {2023},
	eissn = {1873-2704},
	pages = {29-37},
	orcid-numbers = {Eskola, Arkke J./0000-0002-2249-2726; Pekkanen, Timo T./0000-0002-8050-9653; Lendvay, György/0000-0002-2150-0376}
}

@article{MTMT:33251551,
	title = {An experimental and computational investigation of the reaction between pent-1-en-3-yl radicals and oxygen molecules under autoignition conditions},
	url = {https://m2.mtmt.hu/api/publication/33251551},
	author = {Pekkanen, Timo T. and Lendvay, György and Döntgen, Malte and Timonen, Raimo S. and Eskola, Arkke J.},
	doi = {10.1016/j.proci.2022.07.176},
	journal-iso = {P COMBUST INST},
	journal = {PROCEEDINGS OF THE COMBUSTION INSTITUTE},
	volume = {39},
	unique-id = {33251551},
	issn = {1540-7489},
	year = {2023},
	eissn = {1873-2704},
	pages = {189-197},
	orcid-numbers = {Pekkanen, Timo T./0000-0002-8050-9653; Lendvay, György/0000-0002-2150-0376; Döntgen, Malte/0000-0002-0915-8096; Eskola, Arkke J./0000-0002-2249-2726}
}

@article{MTMT:33095080,
	title = {An experimental and computational study of the reaction between 2-methylallyl radicals and oxygen molecules: Optimizing master equation parameters with trace fitting},
	url = {https://m2.mtmt.hu/api/publication/33095080},
	author = {Pekkanen, T.T. and Timonen, R.S. and Robertson, S.H. and Lendvay, György and Joshi, S.P. and Reijonen, T.T. and Eskola, A.J.},
	doi = {10.1039/d1cp05591g},
	journal-iso = {PHYS CHEM CHEM PHYS},
	journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
	volume = {24},
	unique-id = {33095080},
	issn = {1463-9076},
	year = {2022},
	eissn = {1463-9084},
	pages = {4729-4742},
	orcid-numbers = {Lendvay, György/0000-0002-2150-0376}
}

@article{MTMT:33095062,
	title = {An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature},
	url = {https://m2.mtmt.hu/api/publication/33095062},
	author = {Pekkanen, T.T. and Valkai, L. and Joshi, S.P. and Lendvay, György and Heinonen, P. and Timonen, R.S. and Eskola, A.J.},
	doi = {10.1039/d2fd00031h},
	journal-iso = {FARADAY DISCUSS},
	journal = {FARADAY DISCUSSIONS},
	volume = {238},
	unique-id = {33095062},
	issn = {1359-6640},
	year = {2022},
	eissn = {1364-5498},
	pages = {619-644},
	orcid-numbers = {Lendvay, György/0000-0002-2150-0376}
}

@article{MTMT:33076471,
	title = {Structure and Vibrational Spectra of Pyridine Solvated Solid Bis(Pyridine)silver(I) Perchlorate, [Agpy2ClO4]·0.5py},
	url = {https://m2.mtmt.hu/api/publication/33076471},
	author = {May, Nóra Veronika and Bayat, N and Béres, Kende Attila and Bombicz, Petra and Petruševski, VM. and Lendvay, György and Farkas, Attila and Kótai, László},
	doi = {10.3390/inorganics10090123},
	journal-iso = {INORGANICS},
	journal = {INORGANICS},
	volume = {10},
	unique-id = {33076471},
	abstract = {A hemipyridine solvate of bis(pyridine)silver(I) perchlorate, [Agpy2ClO4]·0.5py (compound 1) was prepared and characterized by single crystal X-ray analysis and vibrational spectroscopy (R and low-temperature Raman). Compound 1 was prepared via the trituration of [Agpy2ClO4] and 4[Agpy2ClO4]·[Agpy4]ClO4 (as the source of the solvate pyridine) in a mixed solvent of acetone:benzene =1:1 (v = v) at room temperature. The monoclinic crystals of compound 1 were found to be isomorphic with the analogous permanganate complex (a = 19.1093(16) Å, b = 7.7016(8) Å, c = 20.6915(19) Å, β = 105.515(7)°; space group: C2/c). Two [Agpy2]+ cations formed a dimeric unit [Agpy2ClO4]2, and each silver ion was connected to two ClO4− anions via oxygen atoms. The Ag∙∙∙Ag distance was 3.3873(5) Å, the perchlorate ions were coordinated to silver ions, and the Ag∙∙∙O distances were 2.840(2) Å and 2.8749(16) Å in the centrosymmetric rectangle of Ag-O-Ag-O. The stoichiometric ratio of the monomer [Agpy2ClO4] and the solvent pyridine was 1:0.5. The guest pyridine occupied 527.2 Å3, which was 18.0% of the volume of the unit cell. There was no additional residual solvent-accessible void in the crystal lattice. The solvate pyridine was connected via its a-CH to one of the O atoms of the perchlorate anion. Correlation analysis, as well as IR and low-temperature Raman studies, were performed to assign all perchlorate and pyridine vibrational modes. The solvate and coordinated pyridine bands in the IR and Raman spectra were not distinguishable. A perchlorate contribution via Ag-O coordination to low-frequency Raman bands was also assigned.},
	year = {2022},
	eissn = {2304-6740},
	orcid-numbers = {May, Nóra Veronika/0000-0003-4770-4681; Béres, Kende Attila/0000-0003-4257-0581; Bombicz, Petra/0000-0002-5509-1515; Petruševski, VM./0000-0002-4796-4929; Lendvay, György/0000-0002-2150-0376; Farkas, Attila/0000-0002-8877-2587}
}

@article{MTMT:33059894,
	title = {Testing the role of the backbone length using bidentate and tridentate ligands in manganese-catalyzed asymmetric hydrogenation},
	url = {https://m2.mtmt.hu/api/publication/33059894},
	author = {Császár, Zsófia and Kovács, Regina and Fonyó, Máté and Simon, József and Bényei, Attila Csaba and Lendvay, György and Bakos, József and Farkas, Gergely},
	doi = {10.1016/j.mcat.2022.112531},
	journal-iso = {MOL CATAL},
	journal = {MOLECULAR CATALYSIS},
	volume = {529},
	unique-id = {33059894},
	issn = {2468-8231},
	abstract = {Manganese complexes modified by simple alkane-diyl based P,N (Ph2PCH(CH3)(CH2)mCH(CH3)NHC2H5; m = 0, 1) and potentially tridentate P,N,N (Ph2PCH(CH3)(CH2)(m)CH(CH3)NH(CH2)(n)N(CH3)(2); m = 0, 1; n = 2, 3) type ligands have been synthesized and tested in the asymmetric hydrogenation of ketones. The combined coordination and catalytic studies led to the conclusion that the N-N tether length of the P,N,N type compounds plays a crucial role in determining the chemoselectivity, while the length of the P-N skeleton has been shown to affect the catalytic activity. Mn-catalysts containing P,N,N ligands with the proper tether lengths (m = 0, n = 1) provided high enantioselectivities (up to 95% ee) and activities in the asymmetric hydrogenation of acetophe-none derivatives. The influence of substitution of the acetophenone substrate and the reaction conditions is demonstrated. Based on quantum chemistry calculations, a qualitative model explaining the origin of enantio-selectivity is proposed.},
	year = {2022},
	eissn = {2468-8274},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Fonyó, Máté/0000-0002-3966-4387; Bényei, Attila Csaba/0000-0002-0617-6264; Lendvay, György/0000-0002-2150-0376; Farkas, Gergely/0000-0002-4119-0918}
}