Informaçao sobre o Autor

Ghiasi, R.

Edição Seção Título Arquivo
Volume 58, Nº 1 (2017) Article A theoretical study of the solvent effect on the interaction of C20 and N2H2
Volume 58, Nº 7 (2017) Article Theoretical approach to the molecular structure, chemical reactivity, molecular orbital analysis, spectroscopic properties (IR, UV, NMR), and NBO analysis of deferiprone
Volume 58, Nº 7 (2017) Article Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)
Volume 59, Nº 8 (2018) Article Theoretical Study of the Arene Ligand Effect on the Structure and Properties of Cr(CO)3(Arene) Complexes (Arene = Benzene, Biphenyl, Triphenly, Tetraphenyl)
Volume 59, Nº 8 (2018) Article A Computational Approach for Hydrolysis of the Third-Generation Anticancer Drug: Trans-Platinum(Ii) Complex of 3-Aminoflavone
Volume 59, Nº 1 (2018) Article Solvent Effects on the Structure And Spectroscopic Properties of the Second-Generation Anticancer Drug Carboplatin: A Theoretical Insight
Volume 59, Nº 3 (2018) Article Theoretical Study of Tautomerization in 1,5-Dimethyl-6-Thioxo-1,3,5-Triazinane-2,4-Dione
Volume 59, Nº 5 (2018) Article Analysis of the Interaction Between the C20 Cage and cis-Ptcl2(NH3)2: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies
Volume 59, Nº 5 (2018) Article Exploration of Solvent Effects on the Spectroscopic Properties (Ir and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2 Carbyne Complex
Volume 59, Nº 5 (2018) Article Theoretical Study of the Solvent Effect on the Electronic and Vibrational Properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)] Linkage Isomers
Volume 60, Nº 4 (2019) Article Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study
Volume 60, Nº 5 (2019) Article Computational Investigation of the Pseudo Jahn–Teller Effect on the Structure and Chemical Properties of Perhaloethene Anions
Volume 60, Nº 5 (2019) Article Stability, Electronic, and Structural Features of the Conformers of 2-Methyl-1,3,2-Diheterophosphinane 2-Oxide (Heteroatom = O, S, Se): DFT and NBO Investigations
Volume 60, Nº 11 (2019) Article Substituent Effect on the Acidity Strength of para-C6H4XB(OH)2 Boronic Acid: A Theoretical Investigation