Výsledky vyhledávání - "Morteza Zaman Fashami"

Tautomeric transformations and reactivity of isoindole and sila-indole: A computational study

Autor: Reza Ghiasi, Morteza Zaman Fashami

Publikováno v: Journal of Theoretical and Computational Chemistry. 13:1450041

In this work, the tautomeric transformations and reactivity of isoindole and sila-isoindole molecules has been explored using the B3LYP/6-311G(d,p) level of theory in gas and solution phases. These calculations show that isoindole isomer has more sta

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::114515ff67eb93b9991070e5cf89adc3
https://doi.org/10.1142/s0219633614500412

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A density functional approach toward structural features and properties of C20…N2X2 (X = H, F, Cl, Br, Me) molecules

Autor: Morteza Zaman Fashami, Amir Hossein Hakimioun, Reza Ghiasi

Publikováno v: Journal of Theoretical and Computational Chemistry. 13:1450023

In this work, the interaction of C 20 with N 2 X 2 ( X = H , F , Cl , Br , Me ) molecules has been explored using the B3LYP, M062x methods and 6-311G(d,p) and 6-311+G(d,p) basis sets. The interaction energies (IEs) obtained with standard method were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::997a7bbfb0524f161a0ef31d358889c7
https://doi.org/10.1142/s0219633614500230

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