Works matching IS 00224766 AND DT 2015 AND VI 56 AND IP 7

Results: 32

Crystal structure, DFT study, and Hirshfeld surface analysis of ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-phenyl-5 H-thiazolo[ 3,2-A]pyrimidine-6-carboxylate.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1246, doi. 10.1134/S0022476615070033

By:

Shelke, A.;
Karade, N.;
Dutta, P.;
Bahekar, S.;
Chandak, H.

Publication type:

Article

Gas phase conformational behavior of selenomethionine: A computational elucidation.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1235, doi. 10.1134/S0022476615070021

By:

Mandal, S.;
Das, G.

Publication type:

Article

Tautomerization of pyrido[2′,1′:2,3]imidazo[4,5-B]quinoline-12-ylcyanide: A DFT study.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1253, doi. 10.1134/S0022476615070045

By:

Beyramabadi, S.;
Morsali, A.;
Pordel, M.;
Chegini, H.;
Khashi, M.;
Ahmadi, I.;
Poorzaki, M.

Publication type:

Article

Theoretical study of the mechanism generating azomethine ylide from formaldehyde and glycine.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1262, doi. 10.1134/S0022476615070057

By:

Wu, P.

Publication type:

Article

QSAR study of peptide drugs by 3D-HoVAIF.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1268, doi. 10.1134/S0022476615070069

By:

Tong, J.;
Chang, J.;
Li, L.;
Bai, M.

Publication type:

Article

Structural and electronic properties of heptachlor.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1275, doi. 10.1134/S0022476615070070

By:

Gülseven Sıdır, Y.;
Sıdır, İ.;
Demiray, F.

Publication type:

Article

Design of a new dihedral-angle-controlled molecular scissors: A DFT investigation.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1290, doi. 10.1134/S0022476615070082

By:

Samadizadeh, M.;
Gorgani, S.

Publication type:

Article

Molecular structure investigation of Z-3N(2-ethoxyphenyl)-2-N′(2-ethoxyphenyl)-imino-thiazolidin-4-one by ab initio, DFT and X-ray diffraction methods.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1373, doi. 10.1134/S0022476615070197

By:

Boulakoud, M.;
Toubal, K.;
Yahiaoui, S.;
Chouaih, A.;
Chita, G.;
Djafri, A.;
Hamzaoui, F.

Publication type:

Article

Structural characterization and nonlinear optical properties of 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1398, doi. 10.1134/S0022476615070227

By:

Sankaraperumal, Anitha;
Shetty, A.;
Karthikeyan, J.

Publication type:

Article

Structures and antimicrobial activity of fluoro- and hydroxy-substituted thiocarboxyhydrazones.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1420, doi. 10.1134/S0022476615070276

By:

Liu, Z.-X.

Publication type:

Article

Crystal structures of dual dopamine D and serotonin 5-HT active arylpiperidinyl-2(1 H)-3,4-dihydroquinolinones.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1441, doi. 10.1134/S0022476615070318

By:

Ullah, N.;
Altaf, M.;
Mansha, M.;
Ba-Salem, A.

Publication type:

Article

Crystal structure of trans-[ReO(3,5-lut)]I.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1446, doi. 10.1134/S002247661507032X

By:

Ermolaev, A.;
Shestopalov, M.;
Kuratieva, N.;
Mironov, Yu.

Publication type:

Article

Theoretical studies on the structural properties of 2,3-bis(furan-2-yl)pyrazino-[2,3-f][1,10]phenanthroline.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1295, doi. 10.1134/S0022476615070094

By:

Sadeghian, Z.

Publication type:

Article

Quantum dynamical study of heavy-light-heavy reactions: application to the (Cl + CH → HCl + CH) reaction.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1299, doi. 10.1134/S0022476615070100

By:

Moussa, A.;
Shalaby, M.;
Talaat, H.;
El-Wallid Sedik, S.;
El-Din Kamal, M.

Publication type:

Article

Density functional theory study of the rotational barriers, conformational preference, and vibrational spectra of 2-formylfuran and 3-formylfuran.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1305, doi. 10.1134/S0022476615070112

By:

Umar, Y.;
Tijani, J.

Publication type:

Article

Theoretical studies on the structural, spectroscopic, thermodynamic, and electronic properties of zoledronic acid.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1313, doi. 10.1134/S0022476615070124

By:

Liu, Q.;
Wang, Y.;
Qiu, L.;
Wang, T.;
Luo, S.;
Yuan, H.;
Lin, J.

Publication type:

Article

Host-guest association of Morin with β-CD and C-hexylpyrogallol[4]arene: Structure of the complexes and the effect of pH.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1325, doi. 10.1134/S0022476615070136

By:

Chandrasekaran, S.;
Muthu, I.;
Enoch, V.

Publication type:

Article

Assignment of the absolute configuration of fischerin by computed nmr chemical shifts.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1334, doi. 10.1134/S0022476615070148

By:

Amini, S.

Publication type:

Article

Spectroscopic characterization, X-ray structure and DFT studies on 4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-N-methylthiazol-2-amine.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1342, doi. 10.1134/S002247661507015X

By:

Saraçoğlu, H.;
Ekici, Ö.

Publication type:

Article

Structural characterisation and photoluminescence of a pyridine-diimine compound.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1353, doi. 10.1134/S0022476615070161

By:

Köse, M.;
Ceyhan, G.;
Güngör, S.;
Purtaş, S.;
McKee, V.

Publication type:

Article

Molecular structure and conformational preference of 2-methyl-5-nitro-5-bromo-1,3,2-dioxaborinane and its complex with pyridine.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1360, doi. 10.1134/S0022476615070173

By:

Khaibullina, G.;
Kuznetsov, V.;
Meshcheriakova, E.;
Tyumkina, T.;
Khalilov, L.

Publication type:

Article

1,7-difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane: Crystal structure and sensitivity to mechanical actions.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1367, doi. 10.1134/S0022476615070185

By:

Aliev, Z.;
Korepin, A.;
Goncharov, T.;
Garanin, V.;
Aldoshin, S.

Publication type:

Article

Characterization and crystal structures of new Schiff base macrocyclic compounds.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1410, doi. 10.1134/S0022476615070240

By:

Khalaji, A.;
Hafez Ghoran, S.;
Pojarová, M.;
Dušek, M.

Publication type:

Article

Conformational and configurational diversity of solvent inclusion complexes of some calix[4]pyrroles and their anion recognition properties.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1379, doi. 10.1134/S0022476615070203

By:

Sharma, A.;
Obrai, S.;
Kumar, R.;
Kaur, A.;
Hundal, M.

Publication type:

Article

Molecular and crystal structures of two 1,2,4-benzothiadiazine derivatives.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1390, doi. 10.1134/S0022476615070215

By:

Kumar, P.;
Suchetan, P.;
Sreenivasa, S.;
Naveen, S.;
Lokanath, N.;
Kumar, D.

Publication type:

Article

Characterization and crystal structures of 5-bromo-2-methoxy-4-( p-tolyliminomethyl)phenol and 2-bromo-6-[(6-methylpyridin-2-ylimino)methyl]phenol.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1426, doi. 10.1134/S0022476615070288

By:

Dong, Y.;
Li, C.;
Meng, X.;
Zhou, X.;
Ma, J.

Publication type:

Article

Crystal structures of novel bis-NO-acyclic Schiff base compounds.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1405, doi. 10.1134/S0022476615070239

By:

Khalaji, A.;
Fejfarova, K.;
Dušek, M.

Publication type:

Article

X-ray crystallographic study of 2-morpholino-5-trifluoromethyl-1,3,4-thiadiazole.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1415, doi. 10.1134/S0022476615070252

By:

Slepukhin, P.;
Bazhenova, L.;
Letova, E.;
Filyakova, V.

Publication type:

Article

Structure of ethyl E-6-bromo-4-[1-(methoxycarbonyl)cyclobutyl]-2-oxochromene-3-carboxylate.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1417, doi. 10.1134/S0022476615070264

By:

Kirillov, N.;
Nikiforova, E.;
Dmitriev, M.

Publication type:

Article

An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4- d]pyrimidine analogue of the theophylline compound due to structural changes.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1437, doi. 10.1134/S0022476615070306

By:

Avasthi, K.;
Kant, Ruchir;
Aswal, S.;
Tewari, A.;
Yadav, U.;
Misra, U.;
Maulik, P.

Publication type:

Article

Structure determination and tautomeric transition of 3-amino-1{[bis(benzylsulfanyl)methylidene]amino}urea.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1431, doi. 10.1134/S002247661507029X

By:

How, F.;
Jamaluddin, N.;
Abdul Halim, S.;
Lee, V.

Publication type:

Article

Structure-reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1227, doi. 10.1134/S002247661507001X

By:

Madzhidov, T.;
Bodrov, A.;
Gimadiev, T.;
Nugmanov, R.;
Antipin, I.;
Varnek, A.

Publication type:

Article