1. Chemistry of Heterocyclic Compounds In Silico

   News 17 May 2014 Pages: 309 - 310

   

2. Theoretical Study of One-Electron Reduction And Oxidation Potentials of N-Heterocyclic Compounds

   • L. K. Sviatenko
   • L. Gorb
   • J. Leszczynski

   OriginalPaper 25 May 2014 Pages: 311 - 318

   

3. 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. Astakhov
   • V. M. Chernyshev

   OriginalPaper 17 May 2014 Pages: 319 - 326

   

4. A Theoretical Investigation of the Relative Stability of Isomeric Dihydropyridines

   • O. V. Shishkin
   • R. I. Zubatyuk
   • J. Leszczynski

   OriginalPaper 17 May 2014 Pages: 327 - 335

   

5. A Quantum-Chemical Study of Tautomeric Equilibria of Fluorescein Dyes in DMSO

   • A. V. Lebed
   • A. V. Biryukov
   • N. O. Mchedlov-Petrossyan

   OriginalPaper 17 May 2014 Pages: 336 - 348

   

6. The Electronic Structure of Heteroannelated Cyclooctatetraenes and their UV-Vis Absorption Spectra

   • G. V. Baryshnikov
   • N. N. Karaush
   • B. F. Minaev

   OriginalPaper 18 May 2014 Pages: 349 - 363

   

7. 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. Chepeleva
   • A. D. Roshal
   • M. B. Lukyanova

   OriginalPaper 17 May 2014 Pages: 364 - 370

   

8. Quantum-Chemical Investigation of the Structure and Spectral Characteristics of 2-(3-Coumaroyl)Benzopyrylium Cations

   • E. V. Sanin
   • A. I. Novikov
   • A. D. Roshal

   OriginalPaper 18 May 2014 Pages: 371 - 378

   

9. 5-[4-(N,N-Dimethylamino)Phenyl]-2-(4-Pyridyl)-1,3-Oxazole as a Fluorescent Probe for Monitoring Microheterogeneous Media

   • O. O. Borodin
   • R. Yu. Il’yashenko
   • A. O. Doroshenko

   OriginalPaper 20 May 2014 Pages: 379 - 388

   

10. cis/trans Coordination in Olefin Metathesis by Static and Molecular Dynamic DFT Calculations

    • A. Poater
    • A. Correa
    • L. Cavallo

    OriginalPaper 25 May 2014 Pages: 389 - 395

    

11. Quantum-Chemical Analysis of the Algar–Flynn–Oyamada Reaction Mechanism

    • I. E. Serdiuk
    • A. D. Roshal
    • J. Błażejowski

    OriginalPaper 17 May 2014 Pages: 396 - 403

    

12. Spectral and Quantum-Chemical Study of Acid-Catalyzed Heterocyclization of S-(2-Chloroprop-2-EN-1-YL)Isothiuronium Chloride with Acetylacetone

    • L. M. Sinegovskaya
    • V. A. Shagun
    • V. I. Smirnov

    OriginalPaper 17 May 2014 Pages: 404 - 414

    

13. Synthesis and Conformational Analysis of [3-(6-Chloropyridazin-3-yl)-3,4-Dihydropyridazino[4,5-b]Quinoxalin-2(1Н)-yl](Phenyl)Methanone

    • A. I. Karkhut
    • K. B. Bolibrukh
    • V. P. Novikov

    OriginalPaper 17 May 2014 Pages: 415 - 420

    

14. Sensitivity of ³He NMR Parameters to the Proximity of Heterocyclic Rings. The Helium–Furan Dimer

    • M. Nieradka

    OriginalPaper 17 May 2014 Pages: 421 - 428

    

15. Sensitivity of Noble Gas NMR Parameters to the Heterocyclic Ring Proximity. Density Functional Theory Studies of Ne–Furan and Ar–Furan Complexes

    • M. Nieradka
    • T. Kupka

    OriginalPaper 17 May 2014 Pages: 429 - 437

    

16. A Theoretical Structural Study of Isoniazid Complexes with Thiotriazoline

    • R. I. Zubatyuk
    • L. I. Kucherenko
    • O. V. Shishkin

    OriginalPaper 17 May 2014 Pages: 438 - 443

    

17. Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

    • D. A. Filimonov
    • A. A. Lagunin
    • V. V. Poroikov

    OriginalPaper 28 May 2014 Pages: 444 - 457

    

18. Voronkov Mikhail Grigor’evich (12.06.1921-02.10.2014)

    In Memoriam 17 May 2014 Pages: 458 - 463

    

19. Alan Roy Katritzky (August 18, 1928 – February 10, 2014)

    • A. F. Pozharskii

    News 17 May 2014 Pages: 464 - 466