Volume 59, Issue 6

Search all Journal of Structural Chemistry articles

November 2018

37 articles in this issue

A First-Principles Calculation of Electronic Properties of LiNH₂ and NaNH₂
E. B. Kaizer
N. G. Kravchenko
A. 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. Kravchenko
V. V. Zhdanov
A. S. Poplavnoi
OriginalPaper 14 December 2018 Pages: 1258 - 1264
Investigation of the Electronic Structure of Alkyl Allyl Radicals
E. M. Chernova
V. N. Sitnikov
Yu. 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. Poorsargol
H. S. Delarami
OriginalPaper 14 December 2018 Pages: 1276 - 1287
Dft Study of the Structural and Electronic Properties of Conducting Oligo(p-Fluorophenylthiophene)
H. Nikoofard
A. 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. Samoilova
V. N. Syryamina
F. Formaggio
OriginalPaper 14 December 2018 Pages: 1299 - 1301
The Structure of 2-Methylphenylcyanamide in the Solid State
M. A. Kinzhalov
A. S. Novikov
N. 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. Sosnin
O. O. Mironenko
V. 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 Nasr
M. Kahlaoui
C. 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. Beyramabadi
M. Khashi
H. 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. Erden
Z. Orman
F. 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. Beyramabadi
M. Javan-Khoshkholgh
A. 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. Zhang
J. 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. Podkovyrina
M. A. Kremennaya
A. 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. Belega
P. V. Elyutin
D. 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. Borisov
N. V. Pervukhina
S. 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. Seryotkin
V. V. Bakakin
OriginalPaper 14 December 2018 Pages: 1392 - 1399
Single Crystal X-Ray Diffraction Study of Indium(III) and Gallium(III) Fluoride Complexes M^IIAF₅·7H₂O (M = Co, Ni, Cu, Zn, Cd; A = In, Ga)
R. L. Davidovich
A. A. Udovenko
T. A. Kaidalova
OriginalPaper 14 December 2018 Pages: 1400 - 1404
Crystal Structures of Chromium Cyclopentadienyl Catecholate Complexes
P. A. Petrov
T. S. Sukhikh
OriginalPaper 14 December 2018 Pages: 1405 - 1411
Crystal Structure of Metal Complexes with 2-Imidazoline Nitroxides and Dicyanamide
G. V. Romanenko
E. Yu. Fursova
V. I. Ovcharenko
OriginalPaper 14 December 2018 Pages: 1412 - 1420
Crystal Structure of DL-Serinium Heptafluorodiantimonate(III)
A. A. Udovenko
N. V. Makarenko
L. 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. Shmakova
V. V. Volchek
M. 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. Ran
Y.-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. Delgado
J. A. Henao
H. 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. Qian
J. Wang
N.-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. Fang
L.-B. Yang
Q.-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. Miao
C. Y. Xu
B. 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. Chebanenko
E. E. Martsinko
S. 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. Chumakov
P. A. Petrenko
A. 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. Wang
Z.-W. Zhai
J.-Q. Weng
OriginalPaper 14 December 2018 Pages: 1473 - 1477
Catalytic Properties of Gadolinium Oxide in the Removal of Doxycycline with Anticancer Activity
A. Bagheri
M. 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. Pourabadeh
B. Nasrollahzadeh
M. Najafi
OriginalPaper 14 December 2018 Pages: 1484 - 1491
Ab Initio Studies of Complexation of Gallic Acid in Aqueous Solutions
K. R. Grigoryan
A. L. Zatikyan
OriginalPaper 14 December 2018 Pages: 1492 - 1499
Erratum To: Crystal Structure of 1,2-Bis(Acetoxymethyl)-O-Carborane
Ye. M. Suleimen
A. V. Kazantsev
K. Akatan
Erratum 14 December 2018 Pages: 1500 - 1500

Volume 59, Issue 6

A First-Principles Calculation of Electronic Properties of LiNH₂ and NaNH₂

First Principles Investigations of the Crystal Structure, Electron Spectra, and Chemical Bonding in the Low-Temperature Phase of Lithium Imide

Investigation of the Electronic Structure of Alkyl Allyl Radicals

A Dft Investigation of the Interaction of B- And Al-Doped C₆₀ Fullerenes with Cyclopropylpipezarine

A Quantum Chemical Study of Various Intramolecular Hydrogen Bonds in 4-Amino-3-Pentene-2-Thial

Dft Study of the Structural and Electronic Properties of Conducting Oligo(p-Fluorophenylthiophene)

Epr Spectroscopy of Adsorbed Spin-Labeled Peptides: Immobilization of Trichogin on the Titanium Oxide

The Structure of 2-Methylphenylcyanamide in the Solid State

Structure of the Mo-Containing Dispersed Catalyst During Heavy Oil Upgrading in the Presence of Steam And Hydrogen

Crystal Structure, Magnetic Properties, and Electrical Characterization of a New Coordination Compound: [CuClO₄(C₄H₆N₂O)4H₂O]ClO₄(C₄H₆N₂O)_0.08

Experimental and Computational Investigations of 4-((E)-(2-Amino-5- Nitrophenylimino)Methyl)-5- (Hydroxymethyl)-2-Methylpyridin-3-Ol Schiff Base Derived from Vitamin B₆

Effect of Different π-Conjugated Dyes Containing 4,5-Diazafluorenone-9- Hydrazone on The Performance of Dye-Sensitized Solar Cells

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

Modification of the Optical and Electronic Properties of TiO₂ By N Anion-Doping for Augmentation of the Visible Light Assisted Photocatalytic Performance

Influence of Local Atomic and Electronic Structures of Magnetite on Subtle Effects in HERFD-XANES Spectra

Thermodynamically Motivated Criterion of Hydrogen Bonds in Water Simulations

Simulation of Pyramidal Inversion of Nitrogen in Tetrahydro-1,3-Oxazines in Polar Medium

On the Problem of Criteria for Phase Transitions in Water Clusters (A Hexamer and Octamer Example)

Crystallographic Analysis of the Structure of LaBiI₆·13H₂O and NdBiI₆·13H₂O. Sublattice of Iodine Atoms: A Common Skeleton of the Structures

Structure of K-Substituted Zeolite Clinoptillolite and Its Behavior Upon Compression in Penetrating and Non-Penetrating Media

Single Crystal X-Ray Diffraction Study of Indium(III) and Gallium(III) Fluoride Complexes M^IIAF₅·7H₂O (M = Co, Ni, Cu, Zn, Cd; A = In, Ga)

Crystal Structures of Chromium Cyclopentadienyl Catecholate Complexes

Crystal Structure of Metal Complexes with 2-Imidazoline Nitroxides and Dicyanamide

Crystal Structure of DL-Serinium Heptafluorodiantimonate(III)

Reaction of K₂[Ru(NO)Cl₅] with K₈[γ-SiW₁₀O₃₆] Under Hydrothermal Conditions: Synthesis of [SiW₁₁O₃₉{Ru(NO)}]^5–

Crystal Structures, Magnetic Properties, and Theoretical Investigations of Three Linear Cluster Complexes with Pyridine-2-Amidoxime

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

Crystal Structure and Luminescent Property of a One-Dimensional Chain Based on 1-(4-Nitrophenyl)-1,2,4-Triazole

Structure and Photocatalytic Properties of a 3D Zinc(II) Triazolate Coordination Polymer Combining Hydroxyl and Formate Anions as the Auxiliary Coligands

Crystal Structures and Luminescence Properties of Two One-Dimensional Zinc Coordination Polymers Derived from a bis(Triazole) Ligand

Structural Features And Properties of Heteronuclear Germanium(IV) and Some 3d Metal Complexes with Xylaric Acid and 2,2′-Bipyridine

Crystal Structure of the Acetic Acid Solvate of N-(Prop-2-En-1-Yl)-2-(Pyrid-2-Ylmethylidene)Hydrazinecarboselenoamide

Crystal Structure of a Novel 1,2,4- Triazolo[4,3-a]Pyridine Compound with Antifungal Activity

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

Oxidation of FO and N₂ Molecules on the Surfaces of Metal-Adopted Boron Nitride Nanostructures as Efficient Catalysts

Ab Initio Studies of Complexation of Gallic Acid in Aqueous Solutions

Erratum To: Crystal Structure of 1,2-Bis(Acetoxymethyl)-O-Carborane

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