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Vol 60, No 12 (2019)
Structural and Electronic Properties and Chemical Bonding in Layered 1111-Oxyarsenides LaRhAsO and LaIrAsO: AB Initio Simulation
Bannikov V.V., Shein I.R.
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)
Vol 58, No 7 (2017)
Molecular structures, hirshfeld surface analysis, and spectroscopic properties of 6,8-dimethyl-3-(4-chlorophenyl)-7-oxo-7,8-dihydropyrimido[4,5-c]pyridazin-5(6H)-one and 6,8-dimethyl-3-(4-chlorophenyl)-7-thioxo-7,8-dihydropyrimido[4,5-c]pyridazin-5(6H)-one
Poursattar Marjani A., Taghartapeh M.R., Soltani A.R., Khalafy J., Kanani Y.
PDF
(Eng)
Vol 60, No 10 (2019)
Pseudorotation of the Benzene Radical Cation Associated with HCN or CH3CN Molecules
Beregovaya I.V., Andreev R.V., Shchegoleva L.N.
PDF
(Eng)
Vol 59, No 6 (2018)
The Structure of 2-Methylphenylcyanamide in the Solid State
Kinzhalov M.A., Novikov A.S., Khoroshilova O.V., Bokach N.A.
PDF
(Eng)
Vol 58, No 6 (2017)
An X-ray photoelectron spectroscopy study of Ni, Cu-containing coatings formed by plasma electrolytic oxidation on aluminum and titanium
Koblova E.A., Ustinov A.Y., Rudnev V.S., Lukiyanchuk I.V., Chernykh I.V.
PDF
(Eng)
Vol 60, No 7 (2019)
Crystal Structures and Characteristics of Hirshfeld Surfaces of Co(II) β-Iminoketonate Derivatives
Dorovskikh S.I., Piryazev D.A., Stabnikov P.A., Morozova N.B.
PDF
(Eng)
Vol 59, No 5 (2018)
Crystal Structure and Properties of bis(5-Nitroimino-1,2,4-Triazolate-3-yl) Methane Aminoguanidium Salt
Yin X., Wang J., Ma Q., Wang S.
PDF
(Eng)
Vol 58, No 3 (2017)
Induction of radiative forbidden transitions in an oxygen molecule in O2–H2O collision complexes
Shchepin A.S., Peshkova T.V., Peshkov S.A.
PDF
(Eng)
Vol 60, No 3 (2019)
The Structure of Water Condensate Nuclei in the Field of Surface Crystalline Defects on the Basal Face of β-AgI
Shevkunov S.V.
PDF
(Eng)
Vol 59, No 2 (2018)
Structural and Textural Modifications of ZrO2 Induced By La2O3 Addition, Thermal Treatment and Reducing Process
Aribi K., Ghelamallah M., Bellifa A., Granger P., Choukchou-Braham A.
PDF
(Eng)
Vol 58, No 2 (2017)
Strong hydrogen bonded supramolecular architecture in a crystal of the {3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl] propyl} diethylamine cation with the hydrogen bonded chloride hydrate anion (halides) assembly: X-ray structure, DFT calculations, Hirshfeld surface analysis
Yakalı G., Öztürk S.E., Aygün M.
PDF
(Eng)
Vol 60, No 3 (2019)
Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle
Beregovaya I.V., Shchegoleva L.N., Borovkov V.I., Karpov V.M.
PDF
(Eng)
Vol 59, No 2 (2018)
Highly Nonplanar Macrocyclic Ring Conformation in the Crystal Structures of Ni(II) And Cu(II) Octaphenylporphyrins
Bhyrappa P., Sankar M., Karunanithi K., Varghese B.
PDF
(Eng)
Vol 57, No 8 (2016)
Structural, electrostatic and thermodynamic properties of the surface of spherical micelles in solutions of sodium n-alkyl sulfate homologues. I. Structural characteristics
Kuznetsov V.S., Usol’tseva N.V., Blinov A.P., Zharnikova N.V., Smirnova A.I., Badelin V.G.
PDF
(Eng)
Vol 60, No 2 (2019)
Crystal and Molecular Structures of Two Salts Based on Polyamine Deribatives
Zhou C., Su F., Zhang B., Han C.
PDF
(Eng)
Vol 59, No 1 (2018)
Variation of the Intersection Point of the Potential Surface Crossing Induced by the Laser Phase Along the Reaction Path in Ion-Molecule Reactions: Application To Li+ + CH4
Tag El-Din Kamal M., Sedik E.S., Talaat H.
PDF
(Eng)
Vol 57, No 2 (2016)
First principles calculation of the stacking fault in (111) low-temperature metastable alumina
Papulovskiy E.S., Shubin A.A., Lapina O.B.
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 7 (2018)
Hirshfeld Surface Analysis, Crystal Structure and Spectroscopic Studies of a New Cu(II) Halocuprate Salt with Protonated N-Amino-Ethyl-Piperazine
El Glaoui M., El Glaoui M., Jelsch C., Ben Nasr C.
PDF
(Eng)
Vol 60, No 2 (2019)
DFT-Based Molecular Conformational Analysis of a Diarylethylene Cyano-Derivative
Abulyaissova L.K.
PDF
(Eng)
Vol 59, No 6 (2018)
Structural Features And Properties of Heteronuclear Germanium(IV) and Some 3d Metal Complexes with Xylaric Acid and 2,2′-Bipyridine
Chebanenko E.A., Martsinko E.E., Seifullina I.I., Dyakonenko V.V., Shishkina S.V.
PDF
(Eng)
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