Научни трудове
СПИСЪК НА НАУЧНИТЕ ТРУДОВЕ НА ДОЦ. ДХН СОНЯ ИЛИЕВА
A. НАУЧНИ ПУБЛИКАЦИИ
1. S. Ilieva, B. Galabov, "An MO study of the transferability of infrared intensity
parameters in alkyl ethers", J. Mol. Struct., 198 (1989) 175.
2. S. Ilieva, B. Galabov, J.R. Durig, "Bond polar parameters for dimethyl ether from
ab initio MO calculations and experimental infrared intensities", J. Mol. Struct., 200
(1989) 543.
3. S. Ilieva, T. Dudev, B. Galabov, "Relationship between atomic polar tensors and
bond polar parameters formulations of infrared intensities", Croat. Chem. Acta, 63 (1990)
143.
4. B. Galabov, S. Ilieva, "Predicted infrared spectrum of polyethylene", J. Mol. Liq.,
53 (1992) 55.
5. B. Galabov, S. Ilieva, T. Gounev, D. Steele, "Analysis of vibrational absorption
intensities in benzene and methyl benzenes", J. Mol. Struct., 273 (1992) 85.
6. B. Galabov, T. Dudev, S. Ilieva, "Interpretation of vibrational absorption
intensities: effective bond charges from rotation-free atomic polar tensors", Spectrochim.
Acta, 49A (1993) 373.
7. B. Galabov, S. Ilieva, T. Dudev, H.V. Phan, J.R. Durig, “Interpretation and
prediction of vibrational absorption intensities: methylethyl ether and diethyl ether",
Spectrochim. Acta, 49A (1993) 2093.
8. B. Galabov, T. Dudev, S. Ilieva, "Effective bond charges from experimental IR
intensities", Spectrochim. Acta, 51A (1995) 739.
9. S. Ilieva, M. Krusteva, T. Dudev, B. Galabov, T. Gounev, J.R. Durig, "Effective
bond charges from infrared intensities: ab initio calculations", J. Mol. Struct., 377 (1996)
75.
10. B. Galabov, S. Ilieva, B. Hadjieva, T. Dudev, “N-H stretching frequencies and
conformation of substituted ureas: an ab initio MO study”, J. Mol. Struct., 407 (1997) 47.
11. B. Galabov, T. Dudev, S. Ilieva, “Effective bond charges from infrared and
Raman intensities”, J. Mol. Struct., 408/409 (1997) 57.
12. B. Hadjieva, S. Ilieva, S. Bozionelos, B. Galabov, “N-H stretching frequencies
and conformational isomerism in some disubstituted urea derivatives”, Asian J.
Spectrosc., 1 (1997) 83.
13. B. Galabov, T. Dudev, S. Ilieva, J.R. Durig, “The creation of intensity theory in
vibrational spectroscopy: key role of ab initio quantum mechanical calculations”, Int. J.
Quantum Chem., 70 (1998) 331.
14. S. Ilieva, B. Hadjieva, B. Galabov, “Ab initio molecular orbital study of the
conformation of amide group: o-methylformanilide”, J. Mol. Struct., 476 (1999) 151.
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Научни трудове
15. S. Ilieva, B. Hadjieva, B. Galabov, “Ab initio molecular orbital and infrared
spectroscopic study of the conformation of secondary amides: derivatives of formanilide,
acetanilide and benzylamides”, J. Mol. Struct., 508 (1999) 73.
16. S. Ilieva, B. Galabov, T. Dudev, T.K. Gounev, J.R. Durig, “Effective bond
charges from infrared intensities in CH4, SiH4, GeH4 and SnH4”, J. Mol. Struct., 565-566
(2001) 395.
17. I.D. Reva, S.V. Ilieva, R. Fausto, “Conformational isomerism in methyl
cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital
study”, Phys. Chem. Chem. Phys., 3 (2001) 4235.
18. S. Ilieva, B. Hadjieva, B. Galabov, “Theory supplemented by experiment.
Electronic effects on the rotational stability of amide group in p-substituted acetanilides”
J. Org. Chem., 67 (2002) 6210.
19. V. Dimitrova, S. Ilieva, B. Galabov, “Electrostatic potential at atomic sites as
reactivity index for hydrogen bonding. Complexes of monosubstituted acetylenes and
ammonia”, J. Phys. Chem. А, 106 (2002) 11801.
20. S. Ilieva, B. Galabov, D. Musaev, K. Morokuma, H.F. Schaefer III,
“Computational study of the aminolysis of esters. The reaction of methylformate with
ammonia”, J. Org. Chem., 68 (2003) 1496.
21. S. Ilieva, B. Galabov, D.G. Musaev, K. Morokuma, “Computational study of the
aminolysis of 2-benzoxazolinone”, J. Org. Chem., 68 (2003) 3406.
22. B. Galabov, P. Bobadova-Parvanova, S. Ilieva, V. Dimitrova, “The electrostatic
potential at atomic sites as reactivity index in hydrogen bond formation”, THEOCHEM,
630 (2003) 101.
23. S. Ilieva, Y. Atanassov, V. Kalcheva, B. Galabov, “Computational study of the
catalysed aminolysis of 2-benzoxazolinone”, THEOCHEM, 633 (2003) 49.
24. B. Galabov, S. Ilieva, B. Hadjieva, E. Dinchova, “On the origin of higher
rotational barriers in thioamides than in amides. Remote substituent effects on the
conformational stability of the thioamide group in thioacetanilides”, J. Phys. Chem. A,
107 (2003) 5854.
25. V. Dimitrova, S. Ilieva, B. Galabov, “Electrostatic potential at nuclei as a
reactivity index in hydrogen bond formation. Complexes of ammonia with C-H, N-H and
O-H proton donor molecules”, THEOCHEM, 637 (2003) 73.
26. M. Dimitrova, S. Ilieva, B. Galabov, “Reactivity descriptors for the hydrogen
bonding ability of aliphatic alcohols”, J. Mol. Struct., 657 (2003) 317.
27. S. Slavov, M. Djunlieva, S. Ilieva, B. Galabov, “A QSAR analysis of the
substituent effect on the binding affinity of derivatives of trimetazidine”, Drug Research,
54 (2004) 9.
28. D. Cheshmedzhieva, S. Ilieva and B. Galabov, “Computational study of the
alkaline hydrolysis of acetanilide”, THEOCHEM, 681 (2004) 105.
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Научни трудове
29. B. Galabov, D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, “Computational study of
the reactivity of N-phenylacetamides in the alkaline hydrolysis reaction”, J. Phys. Chem.
A, 108 (2004) 11457.
30. B. Hadjieva, S. Ilieva, M. Vatzova, “Comparative study of the intramolecular
hydrogen bonding and conformation of o-hydroxy and o-alkoxy aromatic ureas and
thioureas”, Asian J. Spectrosc., 8 (2004) 1.
31. M. Dimitrova, S. Ilieva, B. Galabov, “Reactivity descriptors for the hydrogen
bonding ability of pyridine bases”, SAR QSAR Environ. Res., 15 (2004) 311.
32. B. Hadjieva, S. Ilieva, D. Cheshmedzhieva, B. Galabov, “Conformation of some
biologically active aromatic ureas”, Spectrochim. Acta A, 61 (2005) 1321.
33. B. Galabov, Y. Atanasov, S. Ilieva, H. F. Schaefer III, “Mechanism of the
aminolysis of methyl benzoate: a computational study”, J. Phys. Chem. A, 109 (2005)
11470.
34. V. Dimitrova, S. Ilieva, B. Galabov, “A quantitative characterization of the
reactivity of substituted phenols for the proton transfer reaction”, Bulg. Chem. Commun.,
37 (2005) 356.
35. B. Galabov, S. Ilieva, H. F. Schaefer III, “An efficient computational approach for
the evaluation of substituent constants”, J. Org. Chem., 71 (2006) 6382.
36. M. Atanasova, S. Ilieva, B. Galabov, “QSAR analysis of 1,4-Dihydro-4-oxo-1-(2thiazolyl)- naphthyridines with anticancer activity”, Eur. J. Med. Chem., 42 (2007) 1184.
37. S. Ilieva, Y. Atanasov, B. Galabov, “Mechanism of the aminolysis of phenyl
acetate: a computational study”, Bulg. Chem. Commun., 40 (2008) 401.
38. B. Galabov, S. Ilieva, B. Hadjieva, Y Atanasov, H. F. Schaefer III, “Predicting
Reactivities of Organic Molecules. Theoretical and Experimental Studies on the
Aminolysis of Phenyl Acetates”, J. Phys. Chem. A, 112 (2008) 6700.
39. D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, B. Galabov, “The mechanism of
alkaline hydrolysis of amides: a comparative computational and experimental study of
the hydrolysis of N-methylacetamide, N-methylbenzamide, and acetanilide”, J. Phys.
Org. Chem., 22 (2009) 619.
40. D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, T. Trayanova, B. Galabov,
“Reactivity of acetanilides in the alkaline hydrolysis reaction: theory vs. experiment”,
Mol. Phys., 107 (2009) 1187.
41. D. Zhiryakova, I. Ivanov, S. Ilieva, M. Guncheva, B. Galunsky, N. Stambolieva,
“Do N-terminal nucleophile hydrolases indeed have a single amino acid catalytic
center?”, FEBS Journal, 276 (2009) 2589.
42. D. Cheshmedzhieva, S. Ilieva, B. Galabov, “Computational evaluation of I and
R substituent constants”, J. Mol. Struct., 976 (2010) 427.
43. O. Tishchenko, S. Ilieva, D.G. Truhlar, “Еnergetics of reaction pathways for
reactions of ethenol with the hydroxyl radical: the importance of internal hydrogen
bonding at the transition state”, J. Chem. Phys., 133 (2010) 21102.
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Научни трудове
44. S. Ilieva, D. Cheshmedzhieva, D. Tasheva, “The origin of diastereoselectivity in
the Michael addition reaction: a computational study of the interaction between
CH-acidic Schiff base and α,β-unsaturated ketones”, Tetrahedron, 66 (2010) 5168.
B. ГЛАВА В КНИГА
45. S. Ilieva, B. Galabov, “Electrostatic potential at nuclei: an accurate reactivity
descriptor for organic compounds”, In E. Castro, A.K. Haghi, Eds., "Advanced Methods
and Applications in Chemoinformatics: Research Methods and New Applications", IGI
Global, USA, accepted for publication.
C. АВТОРЕФЕРАТИ
1. Автореферат на дисертация за присъждане на научна степен „Доктор по
химия”: „Анализ и предсказване на вибрационни абсорбционни интезивности:
приложения при някои класове многоатомни молекули”.
2. Автореферат на дисертация за присъждане на научна степен „Доктор на
химическите науки” по научната специалност 01.05.01 „Теоретична химия”:
„Количествено охарактеризиране на реакционната способност на органични
молекули: приложение при процеси на водородно свързване и солволитични
реакции на амиди и естери”.
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