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Title
Authors
Vol 58, No 4 (2017)
DFT/TDDFT investigation on the electronic structures and spectral characteristics of C5H3XOS (X = H, F, Cl or Br)
Güneş E., Parlak C., Şenyel M.
PDF
(Eng)
Vol 60, No 3 (2019)
Computational Studies on the Rotamers of 4-Aryl-2-Oxo-1,2,3,4-Tetrahydropyrimidines and 4-Aryl-2-Oxo-1,2-Dihydropyrimidines
Memarian H.R., Amini S.
PDF
(Eng)
Vol 59, No 5 (2018)
Exploration of Solvent Effects on the Spectroscopic Properties (Ir and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2 Carbyne Complex
Ghiasi R.
PDF
(Eng)
Vol 59, No 5 (2018)
Analysis of the Interaction Between the C20 Cage and cis-Ptcl2(NH3)2: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies
Kazemi Z., Ghiasi R., Jamehbozorgi S.
PDF
(Eng)
Vol 58, No 1 (2017)
Solvent effects on the NH stretching of 1-(4-pyridyl)piperazine
Parlak C.
PDF
(Eng)
Vol 58, No 1 (2017)
A theoretical study of the solvent effect on the interaction of C20 and N2H2
Alavi H., Ghiasi R.
PDF
(Eng)
Vol 59, No 1 (2018)
Solvent Effects on the Structure And Spectroscopic Properties of the Second-Generation Anticancer Drug Carboplatin: A Theoretical Insight
Rezazadeh M., Ghiasi R., Jamehbozorgi S.
PDF
(Eng)
Vol 57, No 8 (2016)
Density functional theory studies of conformational stabilities and rotational barriers of 2- and 3-thiophenecarboxaldehydes
Umar Y., Tijani J., Abdalla S.
PDF
(Eng)
Vol 57, No 5 (2016)
Quantum chemical simulation of homopolycondensation of aromatic o-ketocarboxylic acid pseudochloroanhydrides
Matsevich O.V., Yanborisov V.M., Samigullina Z.S.
PDF
(Eng)
Vol 59, No 8 (2018)
A Computational Approach for Hydrolysis of the Third-Generation Anticancer Drug: Trans-Platinum(Ii) Complex of 3-Aminoflavone
Sadeghi N., Ghiasi R., Jamehbozorgi S.
PDF
(Eng)
Vol 60, No 2 (2019)
Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory
Umar Y., Tijani J., Abdalla S.
PDF
(Eng)
Vol 59, No 5 (2018)
Theoretical Study of the Solvent Effect on the Electronic and Vibrational Properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)] Linkage Isomers
Fereidoni S., Ghiasi R., Pasdar H.
PDF
(Eng)
Vol 58, No 7 (2017)
Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)
Zafarnia F., Ghiasi R., Jamehbozorgi S.
PDF
(Eng)
1 - 13 of 13 Items

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