Structure of Matter and Quantum Chemistry

标题 文件
卷 90, 编号 13 (2016) Synthesis, photophysical, and electrochemical properties of wide band gap tetraphenylsilane-carbazole derivatives: Effect of the substitution position and naphthalene side chain PDF
(Eng)
Ho K., Ariffin A.
卷 90, 编号 12 (2016) Adsorption of carbon oxide on tetrahedral bimetallic gold–copper clusters PDF
(Eng)
Gogol’ V., Pichugina D., Kuz’menko N.
卷 90, 编号 12 (2016) Complexation of mercury(II) with 1-Phenyl-2,3-dimethylpyrazoline-5-thione in 0.1 mol/L HNO3 at 273–338 K PDF
(Eng)
Beknazarova N., Shoalifov D., Amindzhanov A., Safarmamadov S.
卷 90, 编号 12 (2016) A comparative DFT study of oxygen reduction reaction on mononuclear and binuclear cobalt and iron phthalocyanines PDF
(Eng)
Chen X., Li M., Yu Z., Ke Q.
卷 90, 编号 12 (2016) Molecular dynamics simulation of the key characteristics of the supercritical CO2–pentaerythritol tetraacetate system PDF
(Eng)
Lei P., Jin Z., Liu H., Wang D., Liu D.
卷 90, 编号 11 (2016) On the similarity between the energy characteristics of strontium and europium PDF
(Eng)
Belyaev V.
卷 90, 编号 11 (2016) Structure and properties of (1–x)LiPO3−xSiO2 and 50Li2O−(50–x)P2O5−xSiO2 glass-forming systems PDF
(Eng)
Pershina S., Raskovalov A., Antonov B., Reznitskikh O., Vovkotrub E., Batalov N., Kadyrova N.
卷 90, 编号 11 (2016) Quantum chemical studies on the reactivity of oxazole derivatives PDF
(Eng)
Hosseinzadeh B., Eskandari K., Zarandi M., Asli R.
卷 90, 编号 11 (2016) Solvent effect on the stability and properties of platinum-substituted borirene and boryl isomers: The polarizable continuum model PDF
(Eng)
Ghiasi R., Peikari A.
卷 90, 编号 10 (2016) [Ca(BH4)2]n clusters as hydrogen storage material: A DFT study PDF
(Eng)
Han C., Dong Y., Wang B., Zhang C.
卷 90, 编号 10 (2016) O–H···C hydrogen bond in the methane–water complex PDF
(Eng)
Isaev A.
卷 90, 编号 10 (2016) Molecular-dynamic study of liquid ethylenediamine PDF
(Eng)
Balabaev N., Kraevskii S., Rodnikova M., Solonina I.
卷 90, 编号 10 (2016) Preparing oxidized fractions of polyvinyl alcohol of a given molecular mass PDF
(Eng)
Zimin Y., Kutlugil’dina G., Mustafin A.
卷 90, 编号 9 (2016) Formation of charged H3O+ and OH fragments at consistent shifts of protons in water clusters PDF
(Eng)
Bednyakov A., Novakovskaya Y.
卷 90, 编号 9 (2016) Structure and energy of formation of β- and γ-cyclodextrin complexes with amino acid enantiomers PDF
(Eng)
Borisov Y., Kiselev S.
卷 90, 编号 9 (2016) Structure of a composite material based on oxyfluoride glass and low-melting fluoroplast PDF
(Eng)
Ignat’eva L., Savchenko N., Lalayan V., Zverev G., Usol’tseva T., Ustinov A., Shaulov A., Berlin A., Buznik V.
卷 90, 编号 9 (2016) Algorithm and criterion of quality for assessing the packing of polymer microspheres PDF
(Eng)
Kozlov A., Abdullaev S., Flid V., Gusev S.
卷 90, 编号 9 (2016) Method for calculating the sizes of nucleation centers upon homogeneous crystallization from a supercooled liquid PDF
(Eng)
Aleksandrov V., Pokyntelytsia O.
卷 90, 编号 9 (2016) Method for calculating the parameters of formation of hydrates from multicomponent gases PDF
(Eng)
Zaporozhets E., Shostak N.
卷 90, 编号 9 (2016) Singlet–triplet energy differences in divalent five membered cyclic conjugated Arduengo-type carbenes XC2HN2M (M = C, Si, Ge, Sn, and Pb; X = F, Cl, Br, and I) PDF
(Eng)
Vessally E., Dehbandi B., Ahmadi E.
卷 90, 编号 9 (2016) Density functional theory of tautomerism and water-assisted proton transfer of glycoluril PDF
(Eng)
Beni A., Aazari M., Chermahini A., Zarandi M.
卷 90, 编号 8 (2016) Interaction of positional isomers of dimethylbenzene with graphite PDF
(Eng)
Pokrovskiy O., Ustinovich K., Usovich O., Parenago O., Lunin V.
卷 90, 编号 8 (2016) Potential function of the internal rotation of a methacrolein molecule in the ground (S0) electronic state PDF
(Eng)
Koroleva L., Krasnoshchekov S., Matveev V., Pentin Y.
卷 90, 编号 7 (2016) Structures and electronic properties of C12Si8X8 (X = H, F, and Cl) PDF
(Eng)
Naderi F.
卷 90, 编号 7 (2016) Vibrational studies, NMR analysis, modeling of electronic and thermodynamical parameters of 1,3-bis(4-benzamido)triazene PDF
(Eng)
Ghalebsaz-Jeddi N., Vessally E.
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