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卷 60, 编号 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., Amini S.
PDF
(Eng)
卷 59, 编号 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)
卷 60, 编号 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)
卷 59, 编号 6 (2018)
Simulation of Pyramidal Inversion of Nitrogen in Tetrahydro-1,3-Oxazines in Polar Medium
Kuznetsov V.
PDF
(Eng)
卷 59, 编号 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)
卷 58, 编号 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)
卷 59, 编号 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)
卷 58, 编号 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)
卷 59, 编号 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)
卷 58, 编号 1 (2017)
Solvent effects on the NH stretching of 1-(4-pyridyl)piperazine
Parlak C.
PDF
(Eng)
卷 59, 编号 2 (2018)
Solvent Effect on The Equilibrium and Rate Constant of the Tautomeric Reaction in Nexium, Skelaxin, Aldara and Efavirenz Drugs: A Dft Study
Sargolzaei M., Afshar M., Nikoofard H.
PDF
(Eng)
卷 58, 编号 1 (2017)
A theoretical study of the solvent effect on the interaction of C20 and N2H2
Alavi H., Ghiasi R.
PDF
(Eng)
卷 59, 编号 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)
卷 57, 编号 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)
卷 59, 编号 1 (2018)
A Quantum Chemical Study of the Acidity of Acetylene and 1,2-Dihydrobuckminsterfullerene Derivatives
Makarova M., Semenov S., Kostikov R.
PDF
(Eng)
卷 57, 编号 5 (2016)
Quantum chemical simulation of homopolycondensation of aromatic o-ketocarboxylic acid pseudochloroanhydrides
Matsevich O., Yanborisov V., Samigullina Z.
PDF
(Eng)
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