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Vol 58, No 7 (2017)
Composition and structure of hydrates of CH3COOH molecules and CH3CO2− anions in aqueous solutions
Tarakanova E.G., Yukhnevich G.V.
PDF
(Eng)
Vol 58, No 7 (2017)
Experimental and theoretical studies of diethyl 2-(ter-butylimino)-2,5-dihydro-5-oxo-1-phenyl-1H-pyrrole-3,4-dicarboxylate using DFT calculations
Yahyaei S., Vessally E., Hashemi M.
PDF
(Eng)
Vol 59, No 3 (2018)
Theoretical Study of Tautomerization in 1,5-Dimethyl-6-Thioxo-1,3,5-Triazinane-2,4-Dione
Shajari N., Ghiasi R.
PDF
(Eng)
Vol 60, No 6 (2019)
Synthesis, Characterization, Crystal Structure, and DFT Study of 4-Bromo-2-(4,6-Dichloro-Phenylimino)-Phenol
Soltani A., Mashkoor R., Khalaji A.D., Raz S.G., Ghoran S.H., Dusek M., Fejfarova K., Kanani Y.
PDF
(Eng)
Vol 58, No 7 (2017)
Probing the electronic structure and aromaticity in W3F3+/−, W3F3X (X = Li, Na, K), AND W3F3Y+ (Y = Be, Mg, Ca) clusters
Jin Q., Jin B., Jin F.K.
PDF
(Eng)
Vol 58, No 3 (2017)
Weak hydrogen bonds in adsorption of nonrigid molecules on graphitized thermal carbon black
Varfolomeeva V.V., Terentev A.V.
PDF
(Eng)
Vol 57, No 6 (2016)
Crystal structure determination, and DFT Calculations of dichlorobis-(dimethylsulfoxide-O)copper(II)
Chebbi H., Chebbi M., Guesmi A., Arfaoui Y.
PDF
(Eng)
Vol 59, No 5 (2018)
Aromaticity of Bare Iridium Trimers and Ir3M0/+ and \(\rm{Ir}_3M_2^{+/3+}\) (M = Li, Na, K, and Be, Ca) Bimetallic Clusters
Jin Q., Jin B., Zhang Z., He X.
PDF
(Eng)
Vol 59, No 8 (2018)
Hydrogen Bond OH...ΠGTCB in Adsorption of Isobutanol, Tert-Butanol, and Tert-Amyl Alcohol on Graphitized Thermal Carbon Black
Terentiev A.V., Varfolomeeva V.V.
PDF
(Eng)
Vol 60, No 5 (2019)
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
Nasrolahi M., Ghiasi R., Shafiee F.
PDF
(Eng)
Vol 60, No 1 (2019)
Conformational Space Analysis of Protected N-Formyl-L-Phenylalanine-N-Amide Amino Acid: Effects of the Intramolecular Basis Set Superposition Error
El Guerdaoui A., Tijar R., Bourjila M., El Merbouh B., El Bouzaidi R.D., El Gridani A.
PDF
(Eng)
1 - 11 of 11 Items

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