SCIENTIFIC PUBLICATIONS

НАУЧНИ ПУБЛИКАЦИИ

на доцент д-р Снежана Методиева Бакалова

 

Science citation report

 

  1. Computational study of exo-selective Diels-Alder cycloadditions, catalyzed by aluminum chloride, S. M. Bakalova, J. Kaneti, N. Markova, Bulg. Chem. Commun., 2017 49, Special Edition D, 195 – 200.
  2. Theoretical insights regarding the electronic spectra and proton transfers in a sensor molecule, S.M. Bakalova, J. Kaneti, Bulg. Chem. Commun. 2017, 49, Spec. Iss. G, 71-77.
  3. Stereoselectivity in the Diels-Alder addition of S-hydroxy-N-methyl succinimide acrylate to cyclopentadiene: origins and DFT computational models: S. M. Bakalova, J. Kaneti, Bulg. Chem. Commun. 2017, 49, Spec. Iss. B, 64-70.
  4. Diels–Alder Reactions of Chiral Isoimidium Salts: A Computational Study, Snezhana M. Bakalova and A. Gil Santos, J. Org. Chem., 2014, 79 (17), pp 8202–8211; DOI: 10.1021/jo501407z.
  5. Can Diels–Alder Reactions Lead to trans-Fused Products? A Computational Study of the Competitive [4+2] and [2+4] Cycloaddition of Dienes to alpha-Aryl-Substituted Cyclohexenones, Snezhana M. Bakalova and A. Gil Santos, European Journal of Organic Chemistry, 2013, Issue 23, 5171–5179, DOI: 10.1002/ejoc.201201754.
  6. Lewis Acid Catalyzed Reactions of Chiral Imidazolidinones and Oxazolidinones: Insights on the Role of the Catalyst, Filipe J. S. Duarte, Snezhana M. Bakalova, Eurico J. Cabrita, and A. Gil Santos, J. Org. Chem., 2011, 76 (17), pp 6997–7004, DOI: 10.1021/jo201318f.
  7. An Alternative Mechanism for Diels-Alder Reactions of Evans Auxiliary Derivatives. Bakalova SM (Bakalova, Snezhana M.), Duarte FJS (Duarte, Filipe J. S.), Georgieva MK (Georgieva, Miglena K.), Cabrita EJ (Cabrita, Eurico J.), Santos AG (Santos, A. Gil): CHEMISTRY-A EUROPEAN JOURNAL 2009, 15(31), 7665-7677.
  8. Synthetic Potentials of Heptamethine Merocyanine Dyes Containing an Active Chlorine Atom. Reactivity towards Nucleophiles: T. Gospodova, J. Rashkova, D. Ivanova, L. Viteva, C. Duprat, M.-R. Mazieres, S. Bakalova, and Jose Kaneti, Eur. J. Org. Chem., 2009, 29, 5063-5071.
  9. Design and Photophysical Properties of a New Molecule with a N-B-N Linked Chromophore: Snezhana Bakalova, Francisco Mendicuti, Obis Castaño, and Jose Kaneti, Chem. Phys. Letters, 2009, 478, 206–210;
  10. Solvent Induced Shifts of Electronic Spectra. IV. Computational study on PRODAN Fluorescence and Implications Regarding the Excited State Structure, S. Bakalova*, J. Kaneti, Specrochim. Acta A 2009, 72, 36-40,
  11. Solvent Induced Shifts of Electronic Spectra. IV. Computational study on PRODAN Fluorescence and Implications Regarding the Excited State Structure, S. Bakalova*, J. Kaneti, accepted, Specrochim. Acta A 2008, 0000.
  12. Snezhana M. Bakalova, Jose Kaneti, and Obis Castaño, Computational Study of the Electronic Spectra of Some B – N Dyes, Bulg. Chem. Commun., accepted.
  13. Snezhana M. Bakalova and Jose Kaneti: Origins of Stereoselectivity in the Diels – Alder Addition of Chiral Hydroxyalkyl Vinyl Ketones to Cyclopentadiene: A Quantitative Computational Study, J. Phys. Chem. A, accepted, DOI: 10.1021/jp803701y.
  14. S. M. Bakalova, A. G. Santos: A Theoretical Study on the Stereoselectivities of the Diels–Alder Addition of Cyclopentadiene to Ethyl-(S)-lactyl Acrylate, Catalyzed by Aluminium Chloride, Eur. J. Org. Chem. 2006, 1779-1789.
  15. S. M. Bakalova, L. M. Frutos, J. Kaneti, O. Castaño: Correlated MO Study of the Low-Barrier Intramolecular Motions in Donor-Acceptor Ethenes. J. Phys. Chem. A  2005, 109 (45), 10388-10395.
  16. S. M. Bakalova, A. G. Santos, I. Timcheva, J. Kaneti, I. L. Filipova, G. M. Dobrikov, V. D. Dimitrov: Electronic Absorption and Emission Spectra and Computational Studies of Some 2-Aryl, 2-Styryl, and 2-(4’-Aryl)butadienyl Quinazolin-4-ones. J. Mol. Structure (Theochem) 2004, 710 (1-3), 229 – 234
  17. S. M. Bakalova, A. G. Santos: A Computational Study of the Diels-Alder Reaction of Ethyl-S -lactyl Acrylate and Cyclopentadiene. Origins of Stereoselectivity. J. Org. Chem. 2004, 69 (24), 8475 – 8481
  18. P. S. Denkova, V. S. Dimitrov, S. M. Bakalova, J. Kaneti, K. Danov: Application of the Model-free Approach to Low Molecular Weight Systems with Hindered Internal Rotation: Cinnamoylmesitylene. Magn. Reson. Chem. 2003, 41 (12), 989 – 995
  19. S. M. Bakalova, M. P. Vladimirova, E. Stanoeva, M. Mitewa, J. Kaneti: Synthesis, Electronic Spectra and Conformational Properties of Some N–substituted Aza-Crown Ethers. Bulg. Chem. Commun. 2003, 35(4), 245 – 251
  20. J. Kaneti, S. M. Bakalova, I. G. Pojarlieff: Schiff Base Addition to Cyclic Dicarboxylic Anhydrides: An Unusual Concerted Reaction. An MO and DFT Theoretical Study. J. Org. Chem. 2003, 68 (17), 6824 – 6827.
  21. J. Kaneti, S. M. Bakalova, M. T. Nguyen: The Ring Closure of Ethylene Phosphites Is a New P(III)-insertion Reaction. A Computational Study. J. Mol. Structure (Theochem) 2003, 633 (1), 35 – 48.
  22. B. Damyanova, S. Momtchilova, S. Bakalova, H. Zuilhof, W. W. Christie, J. Kaneti: Computational Probes into the Conceptual Basis of Silver Ion Chromatography: Silver (I) Complexes of Unsaturated Fatty Acids and Esters. J. Mol. Structure (Theochem) 2002, 589-590, 239 – 249
  23. S. Bakalova, W. Siebrand, A. Fernández – Ramos, Z. Smedarchina, D. D. Petkov: Theoretical Study of a Model for RNA Solvolysis Catalyzed by Large Ribozymes J. Phys. Chem. B 2002, 106 (6), 1476 – 1480.
  24. S. Bakalova, J. Kaneti, D. D. Petkov: Model Theoretical Studies of Phosphodiester Transesterification Mechanisms. I. Thermochemical Evaluation and Mechanism of 1,2-Diol Release in Ribozyme Model Reactions by Density Functional and Semiempirical MO Calculations. Ann. Univ. Sofia, "St. Kl. Ohridski" 2001, 91, 115-123.
  25. Sn.Bakalova, P.Nikolov, and I.Kavrakova: 2-Aryl-4-Arylidene-Oxazolones - Spectral Characteristics and Main Chromophore. Ann. Univ. Sofia " St. Kl. Ohridski" 2001, 91, 139-144.
  26. S. Bakalova, J. Kaneti: Semi-empirical AM1 Calculation of the Solvent Effect on the Fluorescence Spectra of Some Dihydroquinolinones. Spectrochimica Acta A 2000, 56, 1443-1452.
  27. V. Enchev, S. Bakalova, G. Ivanova, N. Stoyanov: Excited State Intramolecular Proton Transfer in 2-Acetylindan-1,3-dione. Chem. Phys. Lett. 1999, 314, 234-238
  28. Sn. Bakalova, A. Georgieva, P. Nikolov, E. Stanoeva: Dihydronaphthalenone Carboxylates - Spectral Characteristics and Structure. Z. Naturforsch. 1997, 52a, 457-461
  29. G. Köhler, Sn. Bakalova, N. Getoff, P. Nikolov, I. Timtcheva: Radiationless Deactivation of 5-Amino-2-Arylindan-1,3-diones via Intermolecular Hydrogen Bonds. J. Photochem. Photobiol. A: Chemistry 1994, 81, 73-77
  30. I. Timtcheva, A. Pentchev, St. Metsov, Sn. Bakalova, V. Koleva, P. Nikolov: Unsymmetrical Azines of 4-Acetyl-3-Methyl-1-Phenyl-5-Pyrazolone. Spectral Characteristics and Structure. Dyes and Pigments 1995, 28 (2), 131-138
  31. Sn. Bakalova, P. Nikolov, E. Stanoeva, V. Ognyanov, M. Haimova: Luminescence Properties and Electronic Structure of Some Quinolizinone and Indolizinone Derivatives. Z. Naturforsch. 1992, 47a, 521-526.
  32. Z. K. Smedarchina, S. M. Bakalova: Dynamic Solvent Effect on the Processes of Radiationless Deactivation of Photoexcited Molecules: Photophysics of Dihydroquinolinones. J. Phys. Chem. 1992, 96, 4995-4949.
  33. S. Bakalova, I. Kavrakova: Electronic Spectra and Photochemical Properties of Acetyldihydroquinolinones. Z. Naturforsch. 1992, 47b, 1775-1778
  34. Sn. Bakalova, L. Biczók, T. Bérces: Photophysical and Photochemical Properties of 2,3-Dihydro-4(1H)-quinolinones. II. Rates and Mechanism of Primary Processes. Z. Naturforsch. 1991, 46c, 549-556.
  35. S. Bakalova: Solvent Effects on the Fluorescence Properties of Methyldihydroquinolinones. Z. Naturforsch. 1991, 46a, 823-827.
  36. Sn. Bakalova, L. Biczók, I. Kavrakova and T. Bérces: Photophysical and Photochemical Properties of 2,3-Dihydro-4(1H)-quinolinones. I. Fluorescence Properties. Z. Naturforsch. 1990, 45c, 980-986.
  37. A. Ляпова, Н. Софрониев, Сн. Бакалова, П. Николов, Ст. Минчев: Синтез и фотофизични характеристики на заместени 3-арилметилен-1(3H)-изобензофуранони. Доклад в ЦНТБ № НД 305/1988
  38. S. M. Bakalova, F. D. Fratev, A. V. Evstatieva: Equilibrium between the Amino- and Imino-like Forms in Solutions of 4-Quinolinamines. Compt. Rend. Acad. Bulgare Sci. 1985, 38 (3), 341-343.
  39. S. Bakalova, P. Nikolov, I. Atanassova, M. Haimova: Photophysical Investigation of Some Isocoumarin Derivatives. Ann. Univ. Sofia "St. Kl. Ohridski" 1985, 79, 367-372.