Журнал
Том 59
Июнь - Июль
№5, 2018

Содержание
Обзоры
стр.1043
Predicted structures and electronic properties of gallium-indium clusters GamInnm (n = 4, 6, 8 and m < n): A density functional study
Теория строения молекул и химической связи
стр.1056
Experimental and theoretical study on new Zn(II) halide complexes of 3,5-diazaindole

стр.1067
Molecular structure, vibrational analysis, hyperpolarizability
and NBO analysis of 3-methyl-picolinic acid
using SQM calculations

стр.1077
Aromaticity of bare iridium trimers and Ir3M0/+ and Ir3M2+/3+
(M = Li, Na, K and Be, Ca) bimetallic clusters

стр.1089
Analysis of the interaction between the C20 cage and cis-PtCl2(NH3)2:
A DFT investigation of solvent effect, structures,
properties and topologies

стр.1097
Exploration of solvent effects on the spectroscopic properties
(IR and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2
carbyne complex

стр.1102
Theoretical study of solvent effect on the electronic and vibrational properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)]
linkage isomers

стр.1110
Excited states of weak interacting complexes
of formaldehyde and alkali metal ions

стр.1121
Vibrational spectra, NBO and NLO analyses,
and a molecular docking study of 3a,8a-dihydroxy-2-thioxo-
1,3,3a,8a-tetrahydroindeno[1,2-d]imidazol-8(2H)-one, using DFT

стр.1130
A density functional investigation of geometrical and electronic structures, charge transfer, and photoluminescent property of a zinc(II) complex with 5-amino-2-(1H-benzoimidazol-2-yl)-phenol
Исследование строения молекул физическими методами
стр.1137
Investigation of simultaneous cation—π and π—π stacking 
interactions on graphene and some bent graphenes
as curved surfaces of carbon nanohorns

стр.1144
Tautomerization reaction, experimental and theoretical characterizations of the N,N′-dipyridoxyl(4-methyl-1,2-phenylenediamine) Schiff base and its Cu(II) complex

стр.1155
Crystal structure and third order nonlinear optical studies
on 2-phenylbenzimidazolium-p-toulenesulphonate

стр.1163
High coercivity induced in nickel ferrite nanoparticles
by mechanical milling

стр.1168
Crystal structure of new one-dimensional triple molybdate Na2K2Cu(MoO4)3

стр.1173
Structural and temperature dependent electrical conductivity properties of Dy2O3—Sm2O3 co-doped Bi2O3
Структура жидкостей и растворов
стр.1181
Temperature dependent microwave dielectric characterization
of associated liquids

стр.1188
Structure breaking/making property of acefylline piperazine
in aqueous, aqueous methanol, and aqueous ethylene glycol systems
Кристаллохимия
стр.1198
Tetranuclear zinc(II) and mononuclear nickel(II) complexes
based on asymmetrical salamo-type ligands:
Syntheses, crystal structures and fluorescence properties

стр.1208
Crystal structure of mononuclear non-heme nickel(II) octahedral complex: [Ni(bqenH2)(bpy)](ClO4)2·0.125H2O

стр.1216
Crystal structure of the azido-bridged copper(II) complex
[Cu2L21,1-N3)2] based on 2-[(3-amino-2,2-dimethylpropylimino)-methyl]-4-bromophenol Schiff base ligand

стр.1221
Fluorescent chemosensor for Pb2+ based on 1,2,4-triazole

стр.1226
Crystal structures of Ru(II) complexes with pyrazole and pyrazolate derivatives of tris(3,5-dimethylpyrazolyl)borohydride

стр.1232
Crystal structure of N-(2-cyano-1-phenylprop-2-en-1-yl)-4-methylbenzenesulfonamide

стр.1235
Crystal structure and properties of bis(5-nitroimino-1,2,4-triazolate-3-yl) methane aminoguanidium salt

стр.1240
Characterization and computational studies
of a co-crystal of 2-aminobenzimidazole
and 2-[(benzoylcarbamothioyl)amino]propanoic acid

стр.1245
Crystal structure of 4-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-
3-yl)sulfanyl]phthalonitrile

стр.1249
Structural characterization
of 11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine
Супрамолекулярные соединения и наноразмерные системы
стр.1254
Solvothermal syntheses, crystal structure,
and magnetic properties of a 1D Co(II) coordination polymer
based on N-[tris(hydroxymethyl)methyl]glycine

стр.1260
Structural comparison of lithium iodide complexes of symmetrical
and unsymmetrical [CH2(PPh2NSiMe3)(PPh2NR)] (R = SiMe3, H) ligands 

стр.1267
Biosensor properties of DA—DA dinucleotide
in the presence of di-L-lysine and single carbon nanotubes:
Molecular dynamics simulation and density functional theory approach
Структура биологически активных систем
стр.1275
Crystal structure of 2-(pyridin-4-yl)-5-(undecylthio)-1,3,4-oxadiazole

стр.1280
Novel phthalocyanines containing guaiacol azo dyes:
Synhthesis, antioxidant, antibacterial, and anticancer activity
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