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SM ISO690:2012
Afisarea articolelor 1-6(6) pentru cuvîntul-cheie "DFT calculation"
Some particularities of the reaction between antioxidant phenolic acids and the free radical ABTS•+: a comparative DFT study for the gas phase and ethanol
Gorbaciov Mihail, Gorincioi Natalia, Balan Iolanta
Institute of Chemistry
Chemistry Journal of Moldova
Nr. 1(17) / 2022 / ISSN 1857-1727 /ISSNe 2345-1688
Disponibil online 13 July, 2022. Descarcări-16. Vizualizări-589
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DFT study of the entire reaction cycle of H2O2 decomposition and O2 generation catalyzed by Fenton reagent
Arsene Ion1, Gorincioi Natalia2
1 Tiraspol State University,
2 Institute of Chemistry
Chemistry Journal of Moldova
Nr. 1(14) / 2019 / ISSN 1857-1727 /ISSNe 2345-1688
Disponibil online 10 July, 2019. Descarcări-26. Vizualizări-1238
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Studies of the substitution effects on the electronic properties for biphenyl and derivative molecules by using DFT method
Al-Yasari Rajaa Khedir
Chemistry Journal of Moldova
Nr. 1(11) / 2016 / ISSN 1857-1727 /ISSNe 2345-1688
Disponibil online 11 July, 2016. Descarcări-11. Vizualizări-796
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Additive controlled packing polymorphism in a series of halogen-substituted dithieno[3,2-a:2′,3′-c]phenazine derivatives
Averkiev Boris B.1, Castaneda Raul2, Fonari Marina23, Jucov Evgheni2, Timofeeva Tatiana2
1 University of Kansas,
2 New Mexico Highlands University, Las Vegas,
3 Institute of Applied Physics, MSU
CrystEngComm
Nr. / 2023 / ISSN 1466-8033
Disponibil online 15 August, 2023. Descarcări-0. Vizualizări-143
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Crystal Structures of Two Perylenediimides: A Study of Bay-Substitution
Aksakal Nuray Esra1, Ciumacov Iurie12, Yuksel Fatma1
2 Institute of Applied Physics
Journal of Chemical Crystallography
Nr. 2(49) / 2019 / ISSN 1074-1542
Disponibil online 22 October, 2019. Descarcări-0. Vizualizări-574
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High aspect ratio ternary Zn1- xCdxO nanowires by electrodeposition for light-emitting diode applications
Lupan Oleg12, Pauporte Thierry1, Le Bahers Tangui1, Ciofini Ilaria1, Viana Bruno3
2 Technical University of Moldova,
Journal of Physical Chemistry C
Nr. / 2011 / ISSN 1932-7447 /ISSNe 1932-7455
Disponibil online 28 February, 2024. Descarcări-0. Vizualizări-45
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