Журнал
Том 59
Июнь - Июль (Готовится к публикации)
№5, 2018

Содержание
Теория строения молекул и химической связи
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Molecular structure, vibrational analysis, hyperpolarizability
and NBO analysis of 3-methyl-picolinic acid
using SQM calculations

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

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

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Exploring solvent effects on the spectroscopic properties
(IR and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2
carbyne complex

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

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

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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

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Excited states of weak interacting complexes
between formaldehyde and alkali metal ions

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Experimental and theoretical study on new Zn(II) halide complexes of 3,5-diazaindole
Исследование строения молекул физическими методами
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Investigation of simultaneous cation—π and π—π stacking interactions on graphene and some bend graphenes as curved surfaces of carbon nanohorns

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

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

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High coercivity induced by mechanical milling in nickel ferrite nanoparticles


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

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

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

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

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

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

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

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

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

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

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

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

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

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

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Novel phthalocyanines containing guaiacol azo dyes:
Synhthesis, antioxidant, antibacterial, and anticancer activity
Обзоры
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Predicted structures and electronic properties of gallium-indium clusters GamInnm (n = 4, 6, 8 and m < n): A density functional study
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