Comparative characteristics of a tryptophan molecule in the gas phase and water I. V. KrauklisA. V. TulubA. A. Shtyrov OriginalPaper 30 December 2017 Pages: 1263 - 1269
Study of a supramolecular structure of continental type petroleum asphaltenes S. A. ShutkovaM. Yu. Dolomatov OriginalPaper 30 December 2017 Pages: 1270 - 1274
Theoretical predictions on the structure and d-AO-based aromaticity of Re3F 3 2+/0/4− , Re3F3X+ (X = Li, Na, K), and Re3F3Y2+ (Y = Be, Mg, Ca) clusters B. JinQ. JinF. K. Jin OriginalPaper 30 December 2017 Pages: 1275 - 1285
Probing the electronic structure and aromaticity in W3F 3 +/− , W3F3X (X = Li, Na, K), AND W3F3Y+ (Y = Be, Mg, Ca) clusters Q. JinB. JinF. K. Jin OriginalPaper 30 December 2017 Pages: 1286 - 1295
Theoretical study of interactions between 1-alkyl-3-methyimidazolium tetrafluoroborate and dibenzothiophene: DFT, NBO, and AIM analysis M. NiknamM. VatanparastH. Shekaari OriginalPaper 30 December 2017 Pages: 1296 - 1306
Theoretical approach to the molecular structure, chemical reactivity, molecular orbital analysis, spectroscopic properties (IR, UV, NMR), and NBO analysis of deferiprone A. ValizadehR. Ghiasi OriginalPaper 30 December 2017 Pages: 1307 - 1317
Nickel(II) complexes with cytosine and threonine: Synthesis and structure D. V. PugachevN. Ya. EsinaV. N. Khrustalev OriginalPaper 30 December 2017 Pages: 1318 - 1323
Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR) F. ZafarniaR. GhiasiS. Jamehbozorgi OriginalPaper 30 December 2017 Pages: 1324 - 1331
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 A. Poursattar MarjaniM. R. TaghartapehY. Kanani OriginalPaper 30 December 2017 Pages: 1332 - 1340
Experimental and theoretical studies of diethyl 2-(ter-butylimino)-2,5-dihydro-5-oxo-1-phenyl-1H-pyrrole-3,4-dicarboxylate using DFT calculations S. YahyaeiE. VessallyM. Hashemi OriginalPaper 30 December 2017 Pages: 1341 - 1349
Argon–water system at low temperatures G. G. Malenkov OriginalPaper 30 December 2017 Pages: 1350 - 1356
Composition and structure of hydrates of CH3COOH molecules and CH3CO2− anions in aqueous solutions E. G. TarakanovaG. V. Yukhnevich OriginalPaper 30 December 2017 Pages: 1357 - 1367
Structure of a Na+ cation hydration shell on heating in a planar nanopore S. V. Shevkunov OriginalPaper 30 December 2017 Pages: 1368 - 1376
Molecular dynamics search for magic numbers for silver and copper clusters V. M. SamsonovS. A. VasilyevD. I. Rybakov OriginalPaper 30 December 2017 Pages: 1377 - 1382
Characteristics of copper sulfide nanoparticles obtained in the copper sulfate–sodium thiosulfate system K. S. MurashevaS. V. SaikovaYu. L. Mikhlin OriginalPaper 30 December 2017 Pages: 1383 - 1390
Magnetic structural properties of maghemite nanoparticles obtained with the use of different stabilizers T. A. LastovinaA. P. BudnikA. V. Soldatov OriginalPaper 30 December 2017 Pages: 1391 - 1396
Temperature effect on the structure and characteristics of ZnS-based quantum dots A. N. KravtsovaA. P. BudnikA. V. Soldatov OriginalPaper 30 December 2017 Pages: 1397 - 1402
In situ analysis of the formation steps of gold nanoparticles by oleylamine reduction M. V. KirichkovA. A. GudaA. V. Soldatov OriginalPaper 30 December 2017 Pages: 1403 - 1410
Crystal structure of Na10[{Na(H2O)H2Nb6O19}2(μ-H2O)2]·46H2O P. A. AbramovM. N. Sokolov OriginalPaper 30 December 2017 Pages: 1411 - 1417
QSAR study by the RASMS method of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors J.-B. TongM. BaiX. Zhao OriginalPaper 30 December 2017 Pages: 1418 - 1426
Structure and thermal properties of (1,1,1-trifluoro-4-methyliminopentanoato-2) (cyclooctadiene-1,5)iridium(I) K. I. KarakovskayaE. S. VikulovaN. B. Morozova Brief Communications 30 December 2017 Pages: 1427 - 1431
Crystal structure of the (N,N′-bis[chromen-2,4-dione]-3-{2′-hydroxypropylenediamine-N,N′,O,O′}) (dimethylsulfoxide)copper(II) complex L. D. PopovI. N. ShcherbakovG. G. Aleksandrov OriginalPaper 30 December 2017 Pages: 1432 - 1435
Crystal structure of copper(II) fluoroindate(III) Cu(InF4)2·10H2O R. L. DavidovichV. B. LogvinovaG. V. Shilov OriginalPaper 30 December 2017 Pages: 1436 - 1439
A novel dinuclear CuII complex based on flexible bis(triazole): Synthesis, structure and physical properties X.-J. XuX. FangJ. Wang OriginalPaper 30 December 2017 Pages: 1440 - 1442
[ZnEn3]CrO4 as a precursor of zinc chromite spinel S. A. GromilovE. Yu. GerasimovA. V. Zadesenets OriginalPaper 30 December 2017 Pages: 1443 - 1447
[NiEn3]CrO4: Structure, thermal properties, and pseudomorphism S. P. KhranenkoV. Yu. KomarovS. A. Gromilov OriginalPaper 30 December 2017 Pages: 1448 - 1452
Crystal structure and thermal properties of N,N′-(2,2-dimethylpropylene)-bis(acetylacetoneiminato)palladium(II) S. A. CherkasovE. S. VikulovaN. B. Morozova OriginalPaper 30 December 2017 Pages: 1453 - 1456
Characterization, crystal structure determination, and luminescent properties of [Pd(4,4′-bit)Cl2] A. EbadiS. Shojaei OriginalPaper 30 December 2017 Pages: 1457 - 1463
Structure of a gadolinium coordination compound with acyldihydrazone of adipic acid and 3-methyl-1-phenyl-4-formylpyrazol-5-one V. F. Shul′ginO. V. KonnikI. L. Eremenko OriginalPaper 30 December 2017 Pages: 1464 - 1467
Crystal and molecular structure of methyl-(4-chlorophenyl)sulfone S. N. AdamovichA. N. MirskovaV. S. Fundamensky OriginalPaper 30 December 2017 Pages: 1468 - 1471
Unexpected C=N bond cleavage in H3salmp: Synthesis and structures of [LnNa(salmp)(sal)]2·6EtOH (Ln = Sm, Er; H3salmp = 2-bis(salicylidieneamino) methylphenol; sal = salicylaldehydato) L. LiF. Yuan OriginalPaper 30 December 2017 Pages: 1472 - 1476