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Structural and Electronic Properties and Chemical Bonding in Layered 1111-Oxyarsenides LaRhAsO and LaIrAsO: AB Initio Simulation
Bannikov V.V., Shein I.R.
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.
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.
Pseudorotation of the Benzene Radical Cation Associated with HCN or CH3CN Molecules
Beregovaya I.V., Andreev R.V., Shchegoleva L.N.
The Structure of 2-Methylphenylcyanamide in the Solid State
Kinzhalov M.A., Novikov A.S., Khoroshilova O.V., Bokach N.A.
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.
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.
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.
Induction of radiative forbidden transitions in an oxygen molecule in O2–H2O collision complexes
Shchepin A.S., Peshkova T.V., Peshkov S.A.
The Structure of Water Condensate Nuclei in the Field of Surface Crystalline Defects on the Basal Face of β-AgI
Shevkunov S.V.
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.
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.
Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle
Beregovaya I.V., Shchegoleva L.N., Borovkov V.I., Karpov V.M.
Highly Nonplanar Macrocyclic Ring Conformation in the Crystal Structures of Ni(II) And Cu(II) Octaphenylporphyrins
Bhyrappa P., Sankar M., Karunanithi K., Varghese B.
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.
Crystal and Molecular Structures of Two Salts Based on Polyamine Deribatives
Zhou C., Su F., Zhang B., Han C.
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.
First principles calculation of the stacking fault in (111) low-temperature metastable alumina
Papulovskiy E.S., Shubin A.A., Lapina O.B.
Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory
Umar Y., Tijani J., Abdalla S.
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.
DFT-Based Molecular Conformational Analysis of a Diarylethylene Cyano-Derivative
Abulyaissova L.K.
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.
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