Volume 60, Issue 2

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February 2019

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22 articles in this issue

Using Doping to Modify the Properties of SrFeO₃ and SrCoO₃ Oxides: DFT Calculations of the Electronic Structure
I. I. Gainutdinov
A. P. Nemudry
I. 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. Umar
J. Tijani
S. 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. Tong
G. Jiang
Y. Li
OriginalPaper 06 May 2019 Pages: 210 - 218
Ionic Mobility in 94BiF₃-6KF and 84BiF₃-6KF-10NdF₃ Solid Solutions with Tysonite Structure
V. Ya. Kavun
M. M. Polyantsev
V. 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. Rastegarnia
M. Pordel
S. 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. Zeyrek
H. Ünver
A. Elmali
OriginalPaper 06 May 2019 Pages: 241 - 254
Composition and Structure of Hydrates Formed in Aqueous Solutions of Formic Acid
E. G. Tarakanova
G. I. Voloshenko
A. K. Lyashchenko
OriginalPaper 06 May 2019 Pages: 255 - 267
Crystallographic Analysis of the Datolite (CaBSiO₄OH) to Okaymalite (Ca₂B₂SiO₇) Structural Transformation under Dehydration
S. V. Borisov
N. V. Pervukhina
S. A. Magarill
OriginalPaper 06 May 2019 Pages: 268 - 274
The Structure of Multinuclear Copper (II) Hexafluoroacetylacetone
G. V. Romanenko
O. V. Kuznetsova
V. 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. Zavakhina
D. G. Samsonenko
V. 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. Zavakhina
I. S. Khan
V. P. Fedin
OriginalPaper 06 May 2019 Pages: 284 - 288
Synthesis and Crystal Structure of Coordination Polymer [Sc₂(HOCH₂CH₂OH)₄(tFBDC)₃] · 2HOCH₂CH₂OH
A. M. Cheplakova
D. G. Samsonenko
V. P. Fedin
OriginalPaper 06 May 2019 Pages: 289 - 293
New One-Dimensional Chain Polymer Based on [Zn₂(OCO)₂] Rhomboid Clusters
J. Qian
J. Wang
J.-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. Nagashima
S. Kawada
H. Kobayashi
OriginalPaper 06 May 2019 Pages: 299 - 301
Molecular and Crystal Structure of Symmetric Sulfur-Containing Stericaly Hindered Trisphenols
I. A. Litvinov
S. V. Bukharov
F. A. Karamov
OriginalPaper 06 May 2019 Pages: 302 - 307
Molecular and Crystal Structure of Indole and Camfora with Sterically Hindered Phenol Fragments
I. A. Litvinov
O. A. Lodochnikova
F. A. Karamov
OriginalPaper 06 May 2019 Pages: 308 - 314
Crystal and Molecular Structures of Two Salts Based on Polyamine Deribatives
C.-Y. Zhou
F. Su
C. 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. Gogoi
U. Saha
M. 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. Masoudinia
A. Bagheri ghomi
Erratum 06 May 2019 Pages: 333 - 333

Volume 60, Issue 2

Using Doping to Modify the Properties of SrFeO₃ and SrCoO₃ Oxides: DFT Calculations of the Electronic Structure

DFT-Based Molecular Conformational Analysis of a Diarylethylene Cyano-Derivative

Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory

Unravelling the Competence of Leucocyanidin in Free Radical Scavenging: A Theoretical Approach Based on Electronic Structure Calculations

Molecular Virtual Screening Studies of Herbicidal Sulfonylurea Analogues Using Molecular Docking and Topomer CoMFA Research

Ionic Mobility in 94BiF₃-6KF and 84BiF₃-6KF-10NdF₃ Solid Solutions with Tysonite Structure

Easy Synthesis and Crystal Structure of a Novel Ortho Hydroxyl Schiff Base Compound CH₂-{CYCLO-C₆H₁₀)-NCH-C₆H₄-OH-2}₂

Synthesis, Characterization, and DFT Calculations of New Fluorescent Cu(II) Complexes of Heterocyclic Ligands

Spectroscopic Properties and Theoretical Studies of 5-Ethylsulphonyl-2-Phenyl-Benzoxazol: Relation Between the Frontier Molecular Orbitals and Optical Properties

Composition and Structure of Hydrates Formed in Aqueous Solutions of Formic Acid

Crystallographic Analysis of the Datolite (CaBSiO₄OH) to Okaymalite (Ca₂B₂SiO₇) Structural Transformation under Dehydration

The Structure of Multinuclear Copper (II) Hexafluoroacetylacetone

A Homochiral Coordination Polymer Based on Copper(II), S-Malic Acid, and Biphenyl-3,3′,5,5′-Tetracarboxilic Acid

Inclusion Compound of Phthalic Anhydride in Porous Homochiral Zinc Terephthalate Lactate: The Effect of Guests on the Geometrical Characteristics of the Metal-Organic Framework

Synthesis and Crystal Structure of Coordination Polymer [Sc₂(HOCH₂CH₂OH)₄(tFBDC)₃] · 2HOCH₂CH₂OH

New One-Dimensional Chain Polymer Based on [Zn₂(OCO)₂] Rhomboid Clusters

Crystal Structure of the Octahedral Rhenium Cluster Complex (Bu₄N)₄[Re₆S₈(OC₆H₄-p-NO₂)₆]

Molecular and Crystal Structure of Symmetric Sulfur-Containing Stericaly Hindered Trisphenols

Molecular and Crystal Structure of Indole and Camfora with Sterically Hindered Phenol Fragments

Crystal and Molecular Structures of Two Salts Based on Polyamine Deribatives

A Supramolecular Dimer of Two Crystallographically Independent Co(II) Phthalate Bipyridine Complexes in One Single Crystal: Synthesis, Crystal Structure, and Thermal Studies

Erratum to: Catalytic Properties of Gadolinium Oxide in the Removal of Doxycycline with Anticancer Activity

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