A First-Principles Calculation of Electronic Properties of LiNH2 and NaNH2 E. B. KaizerN. G. KravchenkoA. S. Poplavnoi OriginalPaper 14 December 2018 Pages: 1251 - 1257
First Principles Investigations of the Crystal Structure, Electron Spectra, and Chemical Bonding in the Low-Temperature Phase of Lithium Imide N. G. KravchenkoV. V. ZhdanovA. S. Poplavnoi OriginalPaper 14 December 2018 Pages: 1258 - 1264
Investigation of the Electronic Structure of Alkyl Allyl Radicals E. M. ChernovaV. N. SitnikovYu. D. Orlov OriginalPaper 14 December 2018 Pages: 1265 - 1270
A Dft Investigation of the Interaction of B- And Al-Doped C60 Fullerenes with Cyclopropylpipezarine M. Bilge OriginalPaper 14 December 2018 Pages: 1271 - 1275
A Quantum Chemical Study of Various Intramolecular Hydrogen Bonds in 4-Amino-3-Pentene-2-Thial M. PoorsargolH. S. Delarami OriginalPaper 14 December 2018 Pages: 1276 - 1287
Dft Study of the Structural and Electronic Properties of Conducting Oligo(p-Fluorophenylthiophene) H. NikoofardA. H. Amin OriginalPaper 14 December 2018 Pages: 1288 - 1298
Epr Spectroscopy of Adsorbed Spin-Labeled Peptides: Immobilization of Trichogin on the Titanium Oxide R. I. SamoilovaV. N. SyryaminaF. Formaggio OriginalPaper 14 December 2018 Pages: 1299 - 1301
The Structure of 2-Methylphenylcyanamide in the Solid State M. A. KinzhalovA. S. NovikovN. A. Bokach OriginalPaper 14 December 2018 Pages: 1302 - 1307
Structure of the Mo-Containing Dispersed Catalyst During Heavy Oil Upgrading in the Presence of Steam And Hydrogen G. A. SosninO. O. MironenkoV. A. Yakovlev OriginalPaper 14 December 2018 Pages: 1308 - 1316
Crystal Structure, Magnetic Properties, and Electrical Characterization of a New Coordination Compound: [CuClO4(C4H6N2O)4H2O]ClO4(C4H6N2O)0.08 M. Ben NasrM. KahlaouiC. Ben Nasr OriginalPaper 14 December 2018 Pages: 1317 - 1325
Experimental and Computational Investigations of 4-((E)-(2-Amino-5- Nitrophenylimino)Methyl)-5- (Hydroxymethyl)-2-Methylpyridin-3-Ol Schiff Base Derived from Vitamin B6 S. A. BeyramabadiM. KhashiH. Chegini OriginalPaper 14 December 2018 Pages: 1326 - 1334
Effect of Different π-Conjugated Dyes Containing 4,5-Diazafluorenone-9- Hydrazone on The Performance of Dye-Sensitized Solar Cells I. ErdenZ. OrmanF. A. Kilicarslan OriginalPaper 14 December 2018 Pages: 1335 - 1341
Spectroscopic (Ft-Ir, Nmr, Uv-Vis, Fluorescence) and Dft Studies (Molecular Structure, Ir and Nmr Spectral Assignments, Nbo and Fukui Function) of Schiff Bases Derived from 2-Chloro-3-Quinolinecarboxaldehyde S. A. BeyramabadiM. Javan-KhoshkholghA. Morsali OriginalPaper 14 December 2018 Pages: 1342 - 1352
Modification of the Optical and Electronic Properties of TiO2 By N Anion-Doping for Augmentation of the Visible Light Assisted Photocatalytic Performance D. ZhangJ. Wang OriginalPaper 14 December 2018 Pages: 1353 - 1361
Influence of Local Atomic and Electronic Structures of Magnetite on Subtle Effects in HERFD-XANES Spectra Yu. S. PodkovyrinaM. A. KremennayaA. V. Soldatov OriginalPaper 14 December 2018 Pages: 1362 - 1367
Thermodynamically Motivated Criterion of Hydrogen Bonds in Water Simulations A. V. Teplukhin OriginalPaper 14 December 2018 Pages: 1368 - 1373
Simulation of Pyramidal Inversion of Nitrogen in Tetrahydro-1,3-Oxazines in Polar Medium V. V. Kuznetsov OriginalPaper 14 December 2018 Pages: 1374 - 1380
On the Problem of Criteria for Phase Transitions in Water Clusters (A Hexamer and Octamer Example) E. D. BelegaP. V. ElyutinD. N. Trubnikov OriginalPaper 14 December 2018 Pages: 1381 - 1386
Crystallographic Analysis of the Structure of LaBiI6·13H2O and NdBiI6·13H2O. Sublattice of Iodine Atoms: A Common Skeleton of the Structures S. V. BorisovN. V. PervukhinaS. A. Magarill OriginalPaper 14 December 2018 Pages: 1387 - 1391
Structure of K-Substituted Zeolite Clinoptillolite and Its Behavior Upon Compression in Penetrating and Non-Penetrating Media Yu. V. SeryotkinV. V. Bakakin OriginalPaper 14 December 2018 Pages: 1392 - 1399
Single Crystal X-Ray Diffraction Study of Indium(III) and Gallium(III) Fluoride Complexes MIIAF5·7H2O (M = Co, Ni, Cu, Zn, Cd; A = In, Ga) R. L. DavidovichA. A. UdovenkoT. A. Kaidalova OriginalPaper 14 December 2018 Pages: 1400 - 1404
Crystal Structures of Chromium Cyclopentadienyl Catecholate Complexes P. A. PetrovT. S. Sukhikh OriginalPaper 14 December 2018 Pages: 1405 - 1411
Crystal Structure of Metal Complexes with 2-Imidazoline Nitroxides and Dicyanamide G. V. RomanenkoE. Yu. FursovaV. I. Ovcharenko OriginalPaper 14 December 2018 Pages: 1412 - 1420
Crystal Structure of DL-Serinium Heptafluorodiantimonate(III) A. A. UdovenkoN. V. MakarenkoL. A. Zemnukhova OriginalPaper 14 December 2018 Pages: 1421 - 1426
Reaction of K2[Ru(NO)Cl5] with K8[γ-SiW10O36] Under Hydrothermal Conditions: Synthesis of [SiW11O39{Ru(NO)}]5– A. A. ShmakovaV. V. VolchekM. N. Sokolov OriginalPaper 14 December 2018 Pages: 1427 - 1432
Crystal Structures, Magnetic Properties, and Theoretical Investigations of Three Linear Cluster Complexes with Pyridine-2-Amidoxime J.-W. RanY.-P. Tong OriginalPaper 14 December 2018 Pages: 1433 - 1439
Structural Characterization of a New Chalcone Compound Containing a Thiophene Moiety: (E)-3-(5-Bromothiophen-2-YL)-1- (2,5-Dichlorothiophen-3-YL)-2-Propen-1-One G. E. DelgadoJ. A. HenaoH. M. Sirat OriginalPaper 14 December 2018 Pages: 1440 - 1445
Crystal Structure and Luminescent Property of a One-Dimensional Chain Based on 1-(4-Nitrophenyl)-1,2,4-Triazole J. QianJ. WangN.-N. Chen OriginalPaper 14 December 2018 Pages: 1446 - 1449
Structure and Photocatalytic Properties of a 3D Zinc(II) Triazolate Coordination Polymer Combining Hydroxyl and Formate Anions as the Auxiliary Coligands X.-D. FangL.-B. YangQ.-Q. Xu OriginalPaper 14 December 2018 Pages: 1450 - 1455
Crystal Structures and Luminescence Properties of Two One-Dimensional Zinc Coordination Polymers Derived from a bis(Triazole) Ligand S. B. MiaoC. Y. XuB. M. Ji OriginalPaper 14 December 2018 Pages: 1456 - 1461
Structural Features And Properties of Heteronuclear Germanium(IV) and Some 3d Metal Complexes with Xylaric Acid and 2,2′-Bipyridine E. A. ChebanenkoE. E. MartsinkoS. V. Shishkina OriginalPaper 14 December 2018 Pages: 1462 - 1468
Crystal Structure of the Acetic Acid Solvate of N-(Prop-2-En-1-Yl)-2-(Pyrid-2-Ylmethylidene)Hydrazinecarboselenoamide Yu. M. ChumakovP. A. PetrenkoA. P. Gulea OriginalPaper 14 December 2018 Pages: 1469 - 1472
Crystal Structure of a Novel 1,2,4- Triazolo[4,3-a]Pyridine Compound with Antifungal Activity Q. WangZ.-W. ZhaiJ.-Q. Weng OriginalPaper 14 December 2018 Pages: 1473 - 1477
Catalytic Properties of Gadolinium Oxide in the Removal of Doxycycline with Anticancer Activity A. BagheriM. Masoudinia OriginalPaper 14 December 2018 Pages: 1478 - 1483
Oxidation of FO and N2 Molecules on the Surfaces of Metal-Adopted Boron Nitride Nanostructures as Efficient Catalysts A. PourabadehB. NasrollahzadehM. Najafi OriginalPaper 14 December 2018 Pages: 1484 - 1491
Ab Initio Studies of Complexation of Gallic Acid in Aqueous Solutions K. R. GrigoryanA. L. Zatikyan OriginalPaper 14 December 2018 Pages: 1492 - 1499
Erratum To: Crystal Structure of 1,2-Bis(Acetoxymethyl)-O-Carborane Ye. M. SuleimenA. V. KazantsevK. Akatan Erratum 14 December 2018 Pages: 1500 - 1500