Theoretical Study of One-Electron Reduction And Oxidation Potentials of N-Heterocyclic Compounds L. K. SviatenkoL. GorbJ. Leszczynski OriginalPaper 25 May 2014 Pages: 311 - 318
Molecular Structure of 3-Amino[1,2,4]Triazolo-[4,3-A]Pyrimidin-5-One in Various Tautomeric Forms: Investigation by DFT and QTAIM Methods A. V. AstakhovV. M. Chernyshev OriginalPaper 17 May 2014 Pages: 319 - 326
A Theoretical Investigation of the Relative Stability of Isomeric Dihydropyridines O. V. ShishkinR. I. ZubatyukJ. Leszczynski OriginalPaper 17 May 2014 Pages: 327 - 335
A Quantum-Chemical Study of Tautomeric Equilibria of Fluorescein Dyes in DMSO A. V. LebedA. V. BiryukovN. O. Mchedlov-Petrossyan OriginalPaper 17 May 2014 Pages: 336 - 348
The Electronic Structure of Heteroannelated Cyclooctatetraenes and their UV-Vis Absorption Spectra G. V. BaryshnikovN. N. KaraushB. F. Minaev OriginalPaper 18 May 2014 Pages: 349 - 363
Photochromic and Thermochromic Spirans 41*. Quantum-Chemical Study of the Geometry and Electronic Structure of 1,3,3-Trimethyl-1′,2′-Diphenylspiro[Indoline- 2,7′-Furo[3,2-f]Chromene] in the Ground and Excited States L. V. ChepelevaA. D. RoshalM. B. Lukyanova OriginalPaper 17 May 2014 Pages: 364 - 370
Quantum-Chemical Investigation of the Structure and Spectral Characteristics of 2-(3-Coumaroyl)Benzopyrylium Cations E. V. SaninA. I. NovikovA. D. Roshal OriginalPaper 18 May 2014 Pages: 371 - 378
5-[4-(N,N-Dimethylamino)Phenyl]-2-(4-Pyridyl)-1,3-Oxazole as a Fluorescent Probe for Monitoring Microheterogeneous Media O. O. BorodinR. Yu. Il’yashenkoA. O. Doroshenko OriginalPaper 20 May 2014 Pages: 379 - 388
cis/trans Coordination in Olefin Metathesis by Static and Molecular Dynamic DFT Calculations A. PoaterA. CorreaL. Cavallo OriginalPaper 25 May 2014 Pages: 389 - 395
Quantum-Chemical Analysis of the Algar–Flynn–Oyamada Reaction Mechanism I. E. SerdiukA. D. RoshalJ. Błażejowski OriginalPaper 17 May 2014 Pages: 396 - 403
Spectral and Quantum-Chemical Study of Acid-Catalyzed Heterocyclization of S-(2-Chloroprop-2-EN-1-YL)Isothiuronium Chloride with Acetylacetone L. M. SinegovskayaV. A. ShagunV. I. Smirnov OriginalPaper 17 May 2014 Pages: 404 - 414
Synthesis and Conformational Analysis of [3-(6-Chloropyridazin-3-yl)-3,4-Dihydropyridazino[4,5-b]Quinoxalin-2(1Н)-yl](Phenyl)Methanone A. I. KarkhutK. B. BolibrukhV. P. Novikov OriginalPaper 17 May 2014 Pages: 415 - 420
Sensitivity of 3He NMR Parameters to the Proximity of Heterocyclic Rings. The Helium–Furan Dimer M. Nieradka OriginalPaper 17 May 2014 Pages: 421 - 428
Sensitivity of Noble Gas NMR Parameters to the Heterocyclic Ring Proximity. Density Functional Theory Studies of Ne–Furan and Ar–Furan Complexes M. NieradkaT. Kupka OriginalPaper 17 May 2014 Pages: 429 - 437
A Theoretical Structural Study of Isoniazid Complexes with Thiotriazoline R. I. ZubatyukL. I. KucherenkoO. V. Shishkin OriginalPaper 17 May 2014 Pages: 438 - 443
Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource D. A. FilimonovA. A. LaguninV. V. Poroikov OriginalPaper 28 May 2014 Pages: 444 - 457
Alan Roy Katritzky (August 18, 1928 – February 10, 2014) A. F. Pozharskii News 17 May 2014 Pages: 464 - 466