Начало / Университетът / Факултети / Факултет по химия и фармация / Структура / Катедри / Физикохимия / Преподаватели / Проф. д-р Анела Иванова / Списък с публикации на проф. д-р Анела Николова Иванова

   
  1. Hu, B.-L.; An, C.; Wagner, M.; Ivanova, G.; Ivanova, A. and Baumgarten, M. (2019) Three-Dimensional Pyrene-Fused N Heteroacenes. Journal of the American Chemical Society, 141, 5130-5134
  2. Petrova, J.; Gocheva, G.; Ivanova, N.; Iliev, S.; Atanasova, B.; Madjarova, G. and Ivanova, A. (2019): Molecular simulation of the structure of folate and antifolates at physiological conditions. Journal of Molecular Graphics and Modelling, 87, 172-184
  3. Iliev, S.; Gocheva, G.; Ivanova, N.; Atanasova, B.; Petrova, J.; Madjarova, G. and Ivanova, A. (2018): Identification and Computational Characterization of Isomers with cis and trans Amide Bonds in Folate and Analogues. Physical Chemistry Chemical Physics, 20, 28818-28831
  4. Bhatt, P.; Kolanji, K.; Ivanova, A.; Yogi, A.; Jakob, G.; Mukadam, M. D.; Yusuf, S. M. and Baumgarten, M. (2018): Magnetic Exchange Interaction in Nitronyl Nitroxide Radical-Based Single Crystals of 3d Metal Complexes: A Combined Experimental and Theoretical Study. ACS Omega, 3, 2918-2933.
  5. Gocheva, G.; Ilieva, N.; Peneva, K. and Ivanova, A. (2018): Characterization of the interaction forces in a drug carrier complex of doxorubicin with a drug-binding peptide. Chemical Biology and Drug Design, 91, 874-884.
  6. Ivanova, N. and Ivanova, A. (2018): Testing the limits of model membrane simulations-bilayer composition and pressure scaling. Journal of Computational Chemistry, 39, 387-396
  7. Tsibranska, S.; Ivanova, А.; Tcholakova, S. and Denkov, N. (2017): Self-assembly of escin molecules at the air-water interface studied by molecular dynamics. Langmuir, 33, 8330-8341
  8. Petrova, J.; Ivanova, A. and Tadjer A. (2017): Density functional theory assessment of the environment polarity effect on polyaniline-water coupling. The Journal of Physical Chemistry А, 131, 6327-6335
  9. Valchanov, G.; Ivanova, A.; Tadjer, A.; Chercka, D. and Baumgarten, M. (2016): Understanding the fluorescence of light-emitting dyes. The Journal of Physical Chemistry А, 120, 6944–6955.
  10. Zahariev, T. K.; Tadjer, A. V. and Ivanova, A. N. (2016): Transfer of non-ionic surfactants across the water-oil interface: a molecular dynamics study. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 506, 20-31.
  11. Kolev, V. L.; Ivanova, A. N.; Madjarova, G. K.; Aserin, A. and Garti, N. (2016): Unit cell structure of water filled monoolein in inverted hexagonal mesophase in the presence of incorporated tricaprylin and entrapped lysozyme. European Biophysical Journal, 45, 99-112.
  12. Mustan, F.; Ivanova, A.; Madjarova, G.; Tcholakova, S. and Denkov, N. (2015): Molecular dynamics simulation of the aggregation patterns in aqueous solutions of bile salts at physiological conditions. The Journal of Physical Chemistry B, 119, 15631-15643
  13. Ivanova, N.; Tsoneva, Y.; Ilkova, N. and Ivanova A. (2015): Complex systems for drug transport across cell membranes. Chemistry: Bulgarian Journal of Science Education, 24, 825-848
  14. Захариев, Цв. и Иванова, А. (2015): Методи за изчисляване на свободна енергия чрез молекулно моделиране: теория и приложения. Българско списание за химия, 4, 43-69
  15. Гочева, Г. и Иванова, А. (2015) Комбиниран изчислителен протокол за пресмятане на ЯМР химични отмествания на аминокиселини. Българско списание за химия, 4, 15-22
  16. Tsoneva, Y.; Jonker, H. R. A.; Wagner, M.; Tadjer, A.; Lelle, M.; Peneva, K. and Ivanova, A. (2015): Molecular structure and pronounced conformational flexibility of doxorubicin in free and conjugated state within a drug-peptide compound. The Journal of Physical Chemistry B, 119, 3000−3013
  17. Kolev, V. L.; Ivanova, A. N.; Madjarova, G. K.; Aserin, A. and Garti, N. (2014): Unit cell structure of water-filled monoolein into inverted hexagonal (HII) mesophase modeled by molecular dynamics. The Journal of Physical Chemistry B, 118, 5459−5470
  18. Zahariev, T. K.; Slavchov, R. I.; Tadjer, A. V. and Ivanova, A. N. (2014): Fully atomistic molecular-mechanical model of liquid alkane oils: computational validation. Journal of Computational Chemistry, 35, 776–788
  19. Zahariev, T. and Ivanova, A. (2013): Molecular dynamics simulations for oil phase characterization: an atomistic molecular mechanical model. Nanoscience&Nanotechnology – Nanostructured Materials Application and Innovation Transfer 13, 15-19.
  20. Valchanov, G.; Ivanova, A.; Tadjer, A.; Chercka, D. and Baumgarten, M. (2013): Tuning the optical absorption of potential blue emitters. Organic Electronics, 14, 2727–2736
  21. Zahariev, T.; Ivanova, A.; Velinova, M. and Tadjer A. (2013): Structure and aggregation proclivity of C12E3 in aqueous solution. Chemical Physics, 410, 1-8
  22. Ivanova, A.; Romanova, J.; Tadjer, A. and Baumgarten M. (2013): Magnetostructural correlation for rational design of Mn(II) hybrid-spin complexes. The Journal of Physical Chemistry A, 117, 670-678
  23. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2012): Absorption spectra of model single chains of conducting polyaniline. The Journal of Physical Chemistry B, 116, 6543-6552
  24. Velinova, M.; Tsoneva, Y.; Ivanova, A. and Tadjer A. (2012): Estimation of the mutual orientation and intermolecular interaction of C12Ex from molecular dynamics simulations. The Journal of Physical Chemistry B, 116, 4879-4888
  25. Kolev, V.; Ivanova, A.; Madjarova, G.; Aserin, A. and Garti, N. (2012): Molecular dynamics approach to water structure of HII mesophase of monoolein. The Journal of Chemical Physics, 136, 074509(1-11)
  26. Velinova, M.; Tsoneva, Y.; Shushkov, Ph.; Ivanova, A. and Tadjer A. (2011): Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations. Progress in Theoretical Chemistry and Physics, 22, 461-480
  27. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2011): Fully doped oligomers of emeraldine salt – polaronic versus bipolaronic configuration. The Journal of Physical Chemistry B, 115, 3765-3776
  28. Tzvetanov, S.; Shushkov, Ph.; Velinova, M.; Ivanova, A. and Tadjer A. (2010): Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers – size effect. Langmuir, 26, 8093-8105
  29. Shushkov, Ph.; Tzvetanov, S.; Velinova, M.; Ivanova, A. and Tadjer A. (2010): Structural aspects of lipid monolayers: computer simulation analyses. Langmuir, 26, 8081-8092
  30. Velinova, M.; Georgiev, V.; Todorova, T.; Madjarova, G.; Ivanova, A. and Tadjer A. (2010): Boron-nitrogen- and boron-substituted anthracenes and -phenanthrenes as models for doped carbon-based materials. Journal of Molecular Structure (THEOCHEM), 955, 97-108
  31. Velinova, M.; Madjarova, G.; Ivanova, A. and Tadjer A. (2010): Systematic theoretical study of Li adsorption on BN- and B-doped aromatic hydrocarbons. Journal of Molecular Structure (THEOCHEM), 955, 109-122
  32. Romanova, J.; Petrova, J.; Ivanova, A.; Tadjer, A. and Gospodinova N. (2010): Theoretical study on the emeraldine salt - impact of the computational protocol. Journal of Molecular Structure (THEOCHEM), 954, 36-44
  33. Miteva, T.; Romanova, J.; Ivanova, A.; Tadjer, A. and Baumgarten M. (2010): Theoretical study on the structural aspects of Cu(II) hybrid-spin complexes. European Journal of Inorganic Chemistry, 2010, 379-390
  34. Romanova, J.; Miteva, T.; Ivanova, A.; Tadjer, A. and Baumgarten M. (2009): An in-depth theoretical approach to the design of hybrid-spin systems. Physical Chemistry Chemical Physics 11, 9545–9555
  35. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2009): Influence of the level of protonation on the geometry and the electronic structure of emeraldine oligomers. Progress in Theoretical Chemistry and Physics, 20, 219-251
  36. Vladimirov, E.; Ivanova, A. N. and Rösch N. (2009): Solvent reorganization energies in A-DNA, B-DNA, and Rhodamine 6G–DNA complexes from molecular dynamics simulations with a polarizable force field. The Journal of Physical Chemistry B 113, 4425–4434
  37. Vladimirov, E.; Ivanova, A. N. and Rösch N. (2008): Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations. The Journal of Chemical Physics 129, 194515
  38. Ivanova, A.; Shushkov, P. and Rösch N. (2008): Systematic Study of the influence of base-step parameters on the electronic coupling between base-pair dimers: comparison of A-DNA and B-DNA forms. The Journal of Physical Chemistry A 112, 7106-7114
  39. Shushkov, P. G.; Tzvetanov, S.A.; Ivanova, A. N. and Tadjer A. V. (2008): Dielectric properties tangential to the interface in model insoluble monolayers – theoretical assessment. Langmuir 24, 4615-4624
  40. Ivanova, A.; Jezierski, G. and Rösch N. (2008): Electronic coupling between base pair dimers of LNA:DNA oligomers. Physical Chemistry Chemical Physics 10, 414-421
  41. Ivanova, A.; Jezierski, G.; Vladimirov E. and Rösch N. (2007): Structure of rhodamine 6G-DNA complexes from molecular dynamics simulations. Biomacromolecules 8, 3429-3438
  42. Ivanova, A. and Rösch N. (2007): The Structure of LNA:DNA Hybrids from molecular dynamics simulations: the effect of locked nucleotides. The Journal of Physical Chemistry A 111, 9307-9319
  43. Gospodinova, N.; Dorey, S.; Ivanova, A.; Zhekova, H. and Tadjer A. (2007): Evidence for generation of delocalized polarons in conducting polyaniline: a raman scattering spectroscopy approach. International Journal of Polymer Analysis and Characterization 12, 251-271
  44. Tadjer, A.; Ivanova, A.; Velkov, Y.; Tzvetanov, S.; Gotsev, M. and Radoev, B. (2007): Exploratory study of dielectric properties of insoluble monolayers: molecular models. International Journal of Quantum Chemistry 107, 1719-1735
  45. Zhekova, H.; Tadjer, A.; Ivanova, A.; Petrova, J. and Gospodinova N. (2007): Theoretical study on the structure and electronic spectra of fully protonated emeraldine oligomers. International Journal of Quantum Chemistry 107, 1788-1806
  46. Ivanova, A.; Tadjer, A. and Gospodinova N. (2006): Theoretical study of the influence of monomer excess on the structure and properties of polyaniline oligomers. The Journal of Physical Chemistry B 110, 2555-2564
  47. Ivanova, A.; Madjarova, G.; Tadjer, A. and Gospodinova, N. (2006): Effect of solvation and intermolecular interactions on the structure and optical properties of PANI oligomers. International Journal of Quantum Chemistry 106, 1383-1395
  48. Ivanova, A.; Tadjer, A.; Tyutyulkov, N. and Radoev, B. (2005): Hydrophilic interactions between organic and water molecules as models for monolayers at the gas/water interface. The Journal of Physical Chemistry A 109, 1692-1702
  49. Rajadurai, Ch.; Ivanova, A.; Enkelmann, V. and Baumgarten, M. (2003): Study on the heteroatom influence in pyridine-based nitronyl nitroxide biradicals with phenylethynyl spacers on the molecular ground state. The Journal of Organic Chemistry 68, 9907-9915
  50. Ivanova, A.; Baumgarten, M.; Karabunarliev, S. and Tyutyulkov, N. (2003): Design of ferromagnetic alternating stacks of neutral and ion-radical hydrocarbons. Physical Chemistry Chemical Physics 5, 4932-4937
  51. Tyuytulkov, N.; Ivanova, A. and Dietz, F. (2003): Magnetic properties of Langmuir-Blodgett films – a theoretical study. II. Langmuir films of polymethine radicals. Chemical Physics 287, 71-82
  52. Tyuytulkov, N.; Muellen, K.; Baumgarten, M.; Ivanova, A. and Tadjer, A. (2003): Is 2-D graphite an ultimate large hydrocarbon? III. Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures. Synthetic Metals 139, 99-107
  53. Zoppellaro, G.; Ivanova, A.; Geies, A.; Enkelmann, V. and Baumgarten, M. (2003): Synthesis, magnetic properties and theoretical calculations of novel nitronyl nitroxide and imino nitroxide diradicals grafted on a terpyridine moiety. Polyhedron 22, 2099-2110
  54. Ivanova, A.; Baumgarten, M.; Karabunarliev, S. and Tyutyulkov, N. (2002): Alternating stacks of neutral and ion-radical hydrocarbons. A feasible path to ferromagnetic materials?. Physical Chemistry Chemical Physics 4, 4795-4801
  55. Ivanova, A.; Tadjer, A.; Radoev, B. and Panayotov, I. (2002): A theoretical study of model lipid monolayers. SAR and QSAR in Environmental Research 13, 237-241
  56. Ivanova, A.; Tadjer, A. and Radoev, B. (2002): Theoretical study of insoluble polymer monolayers. International Journal of Quantum Chemistry 89, 397
  57. Tyutyulkov, N.; Ivanova, A.; Tadjer, A.; Muellen, K. and Baumgarten, M. (2001): Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures. Bulgarian Chemistry and Industry 72, 110-116
  58. Velkov, J.; Tadjer, A.; Ivanova, A. and Sidzhakova, D. (2001): Synthesis, identification and structure of 3-amino-4-carboxamido-2-phenyl-pyrazole and its thioamide analogue. Annuaire de l’Universite de Sofia 91, 203-214
  59. Tyutyulkov, N.; Ivanova, A.; Dietz, F. and Muellen, K. (1999): Structure and properties of new classes of coupled polymethine dyes. Dyes and Pigments 42, 215-222