Using Doping to Modify the Properties of SrFeO3 and SrCoO3 Oxides: DFT Calculations of the Electronic Structure I. I. GainutdinovA. P. NemudryI. L. Zilberberg OriginalPaper 06 May 2019 Pages: 171 - 178
DFT-Based Molecular Conformational Analysis of a Diarylethylene Cyano-Derivative L. K. Abulyaissova OriginalPaper 06 May 2019 Pages: 179 - 185
Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory Y. UmarJ. TijaniS. Abdalla OriginalPaper 06 May 2019 Pages: 186 - 197
Unravelling the Competence of Leucocyanidin in Free Radical Scavenging: A Theoretical Approach Based on Electronic Structure Calculations C. Augustine OriginalPaper 06 May 2019 Pages: 198 - 209
Molecular Virtual Screening Studies of Herbicidal Sulfonylurea Analogues Using Molecular Docking and Topomer CoMFA Research J. TongG. JiangY. Li OriginalPaper 06 May 2019 Pages: 210 - 218
Ionic Mobility in 94BiF3-6KF and 84BiF3-6KF-10NdF3 Solid Solutions with Tysonite Structure V. Ya. KavunM. M. PolyantsevV. K. Goncharuk OriginalPaper 06 May 2019 Pages: 219 - 224
Easy Synthesis and Crystal Structure of a Novel Ortho Hydroxyl Schiff Base Compound CH2-{CYCLO-C6H10)-NCH-C6H4-OH-2}2 M. A. Said OriginalPaper 06 May 2019 Pages: 225 - 231
Synthesis, Characterization, and DFT Calculations of New Fluorescent Cu(II) Complexes of Heterocyclic Ligands S. RastegarniaM. PordelS. Allameh OriginalPaper 06 May 2019 Pages: 232 - 240
Spectroscopic Properties and Theoretical Studies of 5-Ethylsulphonyl-2-Phenyl-Benzoxazol: Relation Between the Frontier Molecular Orbitals and Optical Properties C. T. ZeyrekH. ÜnverA. Elmali OriginalPaper 06 May 2019 Pages: 241 - 254
Composition and Structure of Hydrates Formed in Aqueous Solutions of Formic Acid E. G. TarakanovaG. I. VoloshenkoA. K. Lyashchenko OriginalPaper 06 May 2019 Pages: 255 - 267
Crystallographic Analysis of the Datolite (CaBSiO4OH) to Okaymalite (Ca2B2SiO7) Structural Transformation under Dehydration S. V. BorisovN. V. PervukhinaS. A. Magarill OriginalPaper 06 May 2019 Pages: 268 - 274
The Structure of Multinuclear Copper (II) Hexafluoroacetylacetone G. V. RomanenkoO. V. KuznetsovaV. I. Ovcharenko OriginalPaper 06 May 2019 Pages: 275 - 278
A Homochiral Coordination Polymer Based on Copper(II), S-Malic Acid, and Biphenyl-3,3′,5,5′-Tetracarboxilic Acid M. S. ZavakhinaD. G. SamsonenkoV. P. Fedin OriginalPaper 06 May 2019 Pages: 279 - 283
Inclusion Compound of Phthalic Anhydride in Porous Homochiral Zinc Terephthalate Lactate: The Effect of Guests on the Geometrical Characteristics of the Metal-Organic Framework M. S. ZavakhinaI. S. KhanV. P. Fedin OriginalPaper 06 May 2019 Pages: 284 - 288
Synthesis and Crystal Structure of Coordination Polymer [Sc2(HOCH2CH2OH)4(tFBDC)3] · 2HOCH2CH2OH A. M. CheplakovaD. G. SamsonenkoV. P. Fedin OriginalPaper 06 May 2019 Pages: 289 - 293
New One-Dimensional Chain Polymer Based on [Zn2(OCO)2] Rhomboid Clusters J. QianJ. WangJ.-Q. Tao OriginalPaper 06 May 2019 Pages: 294 - 298
Crystal Structure of the Octahedral Rhenium Cluster Complex (Bu4N)4[Re6S8(OC6H4-p-NO2)6] S. NagashimaS. KawadaH. Kobayashi OriginalPaper 06 May 2019 Pages: 299 - 301
Molecular and Crystal Structure of Symmetric Sulfur-Containing Stericaly Hindered Trisphenols I. A. LitvinovS. V. BukharovF. A. Karamov OriginalPaper 06 May 2019 Pages: 302 - 307
Molecular and Crystal Structure of Indole and Camfora with Sterically Hindered Phenol Fragments I. A. LitvinovO. A. LodochnikovaF. A. Karamov OriginalPaper 06 May 2019 Pages: 308 - 314
Crystal and Molecular Structures of Two Salts Based on Polyamine Deribatives C.-Y. ZhouF. SuC. Han OriginalPaper 06 May 2019 Pages: 315 - 323
A Supramolecular Dimer of Two Crystallographically Independent Co(II) Phthalate Bipyridine Complexes in One Single Crystal: Synthesis, Crystal Structure, and Thermal Studies A. GogoiU. SahaM. K. Bhattacharyya OriginalPaper 06 May 2019 Pages: 324 - 332
Erratum to: Catalytic Properties of Gadolinium Oxide in the Removal of Doxycycline with Anticancer Activity M. MasoudiniaA. Bagheri ghomi Erratum 06 May 2019 Pages: 333 - 333