Structure–reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction T. I. MadzhidovA. V. BodrovA. A. Varnek Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1227 - 1234
Gas phase conformational behavior of selenomethionine: A computational elucidation S. MandalG. Das Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1235 - 1245
Crystal structure, DFT study, and Hirshfeld surface analysis of ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-phenyl-5H-thiazolo[ 3,2-A]pyrimidine-6-carboxylate A. ShelkeN. N. KaradeH. S. Chandak Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1246 - 1252
Tautomerization of pyrido[2′,1′:2,3]imidazo[4,5-B]quinoline-12-ylcyanide: A DFT study S. A. BeyramabadiA. MorsaliM. Poorzaki Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1253 - 1261
Theoretical study of the mechanism generating azomethine ylide from formaldehyde and glycine P. Wu Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1262 - 1267
QSAR study of peptide drugs by 3D-HoVAIF J. TongJ. ChangM. Bai Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1268 - 1274
Structural and electronic properties of heptachlor Y. Gülseven Sıdırİ. SıdırF. Demiray Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1275 - 1289
Design of a new dihedral-angle-controlled molecular scissors: A DFT investigation M. SamadizadehS. S. Gorgani Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1290 - 1294
Theoretical studies on the structural properties of 2,3-bis(furan-2-yl)pyrazino-[2,3-f][1,10]phenanthroline Z. Sadeghian Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1295 - 1298
Quantum dynamical study of heavy-light-heavy reactions: application to the (Cl + CH4 → HCl + CH3) reaction A. H. MoussaM. ShalabyM. T. El-Din Kamal Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1299 - 1304
Density functional theory study of the rotational barriers, conformational preference, and vibrational spectra of 2-formylfuran and 3-formylfuran Y. UmarJ. Tijani Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1305 - 1312
Theoretical studies on the structural, spectroscopic, thermodynamic, and electronic properties of zoledronic acid Q. Z. LiuY. WangJ. G. Lin Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1313 - 1324
Host–guest association of Morin with β-CD and C-hexylpyrogallol[4]arene: Structure of the complexes and the effect of pH S. ChandrasekaranI. V. MuthuV. Enoch Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1325 - 1333
Assignment of the absolute configuration of fischerin by computed nmr chemical shifts S. K. Amini Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1334 - 1341
Spectroscopic characterization, X-ray structure and DFT studies on 4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-N-methylthiazol-2-amine H. SaraçoğluÖ. Ekici Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1342 - 1352
Structural characterisation and photoluminescence of a pyridine–diimine compound M. KöseG. CeyhanV. McKee Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1353 - 1359
Molecular structure and conformational preference of 2-methyl-5-nitro-5-bromo-1,3,2-dioxaborinane and its complex with pyridine G. S. KhaibullinaV. V. KuznetsovL. M. Khalilov Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1360 - 1366
1,7-difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane: Crystal structure and sensitivity to mechanical actions Z. G. AlievA. G. KorepinS. M. Aldoshin Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1367 - 1372
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 M. BoulakoudK. ToubalF. Hamzaoui Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1373 - 1378
Conformational and configurational diversity of solvent inclusion complexes of some calix[4]pyrroles and their anion recognition properties A. SharmaS. ObraiM. S. Hundal Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1379 - 1389
Molecular and crystal structures of two 1,2,4-benzothiadiazine derivatives P. P. S. KumarP. A. SuchetanD. B. A. Kumar Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1390 - 1397
Structural characterization and nonlinear optical properties of 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one Anitha SankaraperumalA. N. ShettyJ. Karthikeyan Structure of Organic Compounds: Calculations and Experiments 27 January 2016 Pages: 1398 - 1404
Crystal structures of novel bis-NO-acyclic Schiff base compounds A. D. KhalajiK. FejfarovaM. Dušek Brief Communications 27 January 2016 Pages: 1405 - 1409
Characterization and crystal structures of new Schiff base macrocyclic compounds A. D. KhalajiS. Hafez GhoranM. Dušek Brief Communications 27 January 2016 Pages: 1410 - 1414
X-ray crystallographic study of 2-morpholino-5-trifluoromethyl-1,3,4-thiadiazole P. A. SlepukhinL. N. BazhenovaV. I. Filyakova Brief Communications 27 January 2016 Pages: 1415 - 1416
Structure of ethyl E-6-bromo-4-[1-(methoxycarbonyl)cyclobutyl]-2-oxochromene-3-carboxylate N. F. KirillovE. A. NikiforovaM. V. Dmitriev Brief Communications 27 January 2016 Pages: 1417 - 1419
Structures and antimicrobial activity of fluoro- and hydroxy-substituted thiocarboxyhydrazones Z.-X. Liu Brief Communications 27 January 2016 Pages: 1420 - 1425
Characterization and crystal structures of 5-bromo-2-methoxy-4-(p-tolyliminomethyl)phenol and 2-bromo-6-[(6-methylpyridin-2-ylimino)methyl]phenol Y. -L. DongC. LiJ. -J. Ma Brief Communications 27 January 2016 Pages: 1426 - 1430
Structure determination and tautomeric transition of 3-amino-1{[bis(benzylsulfanyl)methylidene]amino}urea F. N.-F. HowN. JamaluddinV. S. Lee Brief Communications 27 January 2016 Pages: 1431 - 1436
An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes K. AvasthiRuchir KantP. R. Maulik Brief Communications 27 January 2016 Pages: 1437 - 1440
Crystal structures of dual dopamine D2 and serotonin 5-HT1A active arylpiperidinyl-2(1H)-3,4-dihydroquinolinones N. UllahM. AltafA. O. Ba-Salem Brief Communications 27 January 2016 Pages: 1441 - 1445
Crystal structure of trans-[ReO2(3,5-lut)4]I3 A. V. ErmolaevM. A. ShestopalovYu. V. Mironov Brief Communications 27 January 2016 Pages: 1446 - 1448