1. A Theoretical Study of Molecular Structure in the Excited State and Molecular Luminescence. Part II. An SCF-CI Calculation of Luminescence and Molecular Structure in Equilibrium Excited States of Some Compounds with Strong Bond Alternation
F. Fratev, A. Tadjer
J. Mol. Struc. 27 (1975) 185-193
2. Band Structure of Molecular Aggregates of Cyanine Dyes
N. Tyutyulkov, A. Tadjer, F. Dietz
Bulg. Acad. Sci., Commun. Dept. Chem., 12 (1979) 388-391
3. Application of the Frontier MO’s of the Unit Cell for the Study of the Energy Spectrum of Polymer Systems
N. Tyutyulkov, A. Tadjer, F. Dietz
Bulg. Acad. Sci., Commun. Dept. Chem., 12 (1979) 633-640
4. Quantum Chemical Investigations on Dye Aggregates. XI. Band Structure of Molecular Aggregates of Cyanine Dyes
N. Tyutyulkov, A. Tadjer, F. Dietz
Journal of Imaging Science, 7 (1979) 323-325
5. Studies of the Energy Spectrum of a,w-Substituted Polymethine Chains II. Polymethine Chains with Odd Number of Methine Groups
N. Tyutyulkov, F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer
Theoret. Chim. Acta (Berl.), 60 (1981) 185-200
6. Stereoisomerization of Streptocyanines
F. Dietz, W. Foerster, C. Weiss, A. Tadjer, N. Tyutyulkov
Journal of Imaging Science, 9 (1981) 177-190
7. Band Structure and Local States in Silver Halide Crystals
N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold
CR Acad. Bulg. Sci., 36 (1983) 1073-1076
8. Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Formaldehyde and Acrolein
F. Dietz, A. Tadjer, N. Tyutyulkov
Chem. Phys. Lett., 99 (1983) 120-121
9. Band Structure and Local States of Crystals of Silver Halides. I. Local States Arising Upon Adsorption of Ions
N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold
Journal of Imaging Science, 12 (1984) 351-358
10. Quantum Chemical Investigations of Mechanisms of the Photographic Process. AgBr Model Clusters for the Adsorption of Silver
F. Dietz, C. Gruentzig, A. Koch, R. Essbach, J. Reinhold, N. Tyutyulkov, A.Tadjer
Bull. Jap. Soc. of Printing Sci. and Technology, 21 (1984)129-138
11. Regeln fuer qualitative Charakterisierung der Energie und der
Elektronenstruktur der Grundzustansberrieren und der nichtspektroskopischen Minima bei der trans-cis-Isomerisierung von Polymethinen und polaren Polyenen
F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer, N. Tyutyulkov
Wiss-Z. Karl-Marx-Univ. Leipzig, Math. Naturwiss.R., 33 (1984) 390-396
12. A Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Some Polyenals
F. Dietz, A. Tadjer, N. Tyutyulkov
Bulg. Acad. Sci., Commun. Dept. Chem., 19 (1986) 284-289
13. Quantum Chemical Investigations of the Mechanism of the Photographic Process. III. A Model of Growth and Structure of the Latent Image
F. Dietz, A. Koch, C. Nieke, R. Richter, J. Reinhold, A. Tadjer, N. Tyutyulkov
J. Imag. Sci., 30 (1986) 146-150
14. 3-Phenylpyrazolo(3,4-c)pyridine and Derivatives: Structure Determination
R. Radinov, M. Haimova, A. Tadjer, E. Simova, Sv. Simova
J. Mol. Struct., 158 (1987) 99-108
15. On the Energy Spectrum of Polymethines
F. Dietz, N. Tyutyulkov, A. Tadjer
J. Inf. Rec. Mater. 17 (1989) 251-265
16. Band Structure of Poly(perinaphthalene)
N. Tyutyulkov, A. Tadjer, I. Mincheva
Synthetic Metals, 38 (1990) 313-317
17. Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems. Part 2. Energy Spectra and Stabilization of Systems Containing the Anti-Aromatic Cycloheptatrienide Anion
F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov
J. Chem. Soc. Perkin Trans. 2, (1995) 735-739
18. Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems III. Anti-Aromaticity of Ion Radicals of Benzene and Substituted Benzenes
F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov
Z. Physikal. Chem., 191 (1995) 15-22
19. A Novel Class of High-Spin Organic Polymers
N. Tyutyulkov, A. Tadjer, G. Madjarova
Bulg. Chem. Commun., 28 (1995) 418-427
20. A New Approach to the Study of Oxidative Polymerization of Aniline and Transformations of Polyaniline. Support by Means of the Hueckel Method
N. Gospodinova, L. Terlemezian, P. Mokreva, A. Tadjer
Polymer 37 (1996) 4431-4433
21. Vinylidene - a New Ferromagnetic Coupler in One-Dimensional High-Spin Polymers
N. Tyutyulkov, A. Tadjer, G. Madjarova, F. Dietz
Bulg. Chem. Commun., 29 (1996/1997) 683-691
22. Organic Polymers with Indirect Magnetic Interaction
N. Tyutyulkov, G. Madjarova, A. Tadjer
Ann. de l’Univ. de Sofia, 89 (1997) 195-201
23. Calculated and Experimental Spectra of Some 1,8-Naphthalimide Derivatives
I. Karamancheva, A. Tadjer, Tz. Philipova, G. Madjarova, Ch. Ivanova, T. Grozeva
Dyes and Pigments, 36 (1998) 273-285
24. Energy Spectra of [N]Phenylenes
N. Tyutyulkov, A. Tadjer, G. Madjarova
Ann. de l’Univ. de Sofia, 90 (1998) 21-26
25. Jahn-Teller Distortion of the Ionradicals of Large Aromatic Hydrocarbons
A. Tadjer, G. Madjarova, F. Dietz
Bulg. Chem. Ind., 71 (2000) 36-38
26. Structure and Energy Spectrum of One-Dimensional Polymers
N. Tyutyulkov, A. Tadjer
Ann. de l’Univ. de Sofia, 88 (2000) 47-54
27. Photosensitivity of Aniline Polymerisation
A. Tadjer, N. Gospodinova, G. Madjarova, L. Terlemezian, P. Mokreva
Bulg. Chem. Commun., 32, (2000) 66-71
28. Homo- and Copolymerisation of Ring-Substituted Alkyl Anilines. Theoretical Estimation of Monomer Reactivity
N. Gospodinova, A. Tadjer, G. Madjarova, P. Mokreva, L. Terlemezian
Bulg. Chem. Commun., 32 (2000) 72-79
29. Band Structure of One-Dimensional Graphite
A. Tadjer, G. Madjarova
Ann. de l’Univ. de Sofia, 91, (2001) 51-56
30. Synthesis, Identification and Structure of 3-Amino-2-phenyl-pyrazolo-4-amide and Thioamide
J. Velkov, A. Tadjer, A. Ivanova, D. Sidzhakova
Ann. de l’Univ. de Sofia, 91 (2001) 203-211
31. Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures
N. Tyutyulkov, A. Ivanova, A. Tadjer, K. Muellen, M. Baumgarten
Bulg. Chem. Ind., 72 (2001) 110-116
32. A Theoretical Study of Model Lipid Monolayers
A. Ivanova, A. Tadjer, B. Radoev, I. Panayotov
SAR QSAR Environm. Res., 13 (2002) 237-241
33. Theoretical Study of Insoluble Polymer Monolayers
A. Ivanova, A. Tadjer, B. Radoev
Int. J. Quant. Chem., 89 (2002) 397-404
34. Is 2D Graphite an Ultimate Large Hydrocarbon? III. Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures
N. Tyuytulkov, K. Muellen, M. Baumgarten, A. Ivanova, A. Tadjer
Synthetic Metals, 139 (2003) 99-107
35. Magnetic Interactions in Non-alternant Mixed Molecular Radical Crystals and Mixed Ion Radical Crystals
I. Minkov, A. Tadjer
Int. J. Quant. Chem., 99 (2004) 667-676
36. Polymethine-Structural Principles of p-Conjugated Systems with Non-bonding Molecular Orbitals
N. Tyuytulkov, F. Dietz, A.Tadjer
MATCH Commun. Math. Comput. Chem., 53 (2005) 99-109
37. Selectivity Descriptors for the Michael Addition Reaction as Obtained from Density Functional Based Approaches
G. Madjarova, A. Tadjer, T. P. Cholakova, A. A. Dobrev, T. Mineva
J. Phys. Chem. A., 109 (2005) 387-393
38. Hydrophilic Interactions between Organic and Water Molecules as Models for Monolayers at the Gas/Water Interface
A. Ivanova, A. Tadjer, N. Tyutyulkov, B. Radoev
J. Phys. Chem. A, 109 (2005) 1692-1702
39. Relationship between Molecular Characteristics and Biodegradation Rate of Benzene Derivatives
K. Chuchev, A. Tadjer, N. Nikolova, V. Nenov
Oxid. Commun., 28 (2005) 837-846
40. Effect of Solvation and Intermolecular Interactions on the Structure and Optical Properties of PANI oligomers
A. Ivanova, G. Madjarova, A. Tadjer, N. Gospodinova
Int. J. Quant. Chem., 106 (2006) 1383-1395
41. Theoretical Study of the Influence of Monomer Excess on the Structure and Properties of Polyaniline Oligomers
A. Ivanova, A. Tadjer, N. Gospodinova
J. Phys. Chem. B, 110 (2006) 2555-2564
42. Quantum-chemical Investigations of 5-bromo-2’-deoxyuridine Derivatives with Antiviral Activity
Zh. Velkov, Y. Velkov, A. Tadjer, I. Stankova
Collect. Czech. Chem. Commun. (ChemPlusChem since 2012) 71 (2006) 691–697
43. Theoretical Study on the Structure and Electronic Spectra of Fully Protonated Emeraldine Oligomers
H. Zhekova, A. Tadjer, A. Ivanova, J. Petrova, N. Gospodinova
Int. J. Quant. Chem. 107 (2007) 1688-1706
44. Exploratory Study of Dielectric Properties of Insoluble Monolayers: Molecular Models
A. Tadjer, A. Ivanova, Y. Velkov, S. Tzvetanov, M. Gotsev, B. Radoev
Int. J. Quant. Chem. 107 (2007) 1719-1735
45. First Principles Study on the Structure of Conjugated Amides and Thioamides
Zh. Velkov, Y. Velkov, E. Balabanova, A. Tadjer
Int. J. Quant. Chem. 107 (2007) 1765-1771
46. A New Class of Non-Kekule Radical Polymethines: Theoretical Study
N. Tyutyulkov, N. Drebov, A. Staykov , A. Tadjer
Int. J. Quant. Chem. 107 (2007) 1396-1404
47. Evidence for Generation of Delocalized Polarons in Conducting Polyaniline: a Raman Scattering Spectroscopy Approach
N. Gospodinova, S. Dorey, A. Ivanova, H. Zhekova, A. Tadjer
Int. J. Polym. Anal. Charact. 12 (2007) 251-271
48. Radical Scavenging Activity Prediction of o-Coumaric Acid Thioamide
Z. Velkov, E. Balabanova, A. Tadjer
J. Molec. Struct. THEOCHEM 821 (2007) 133-138
49. Modeling and Statistical Analysis of DPPH Scavenging Activity of Phenolics
Z. Velkov, M. Kolev, A. Tadjer
Collect. Czech. Chem. Commun. (QhemPlusChem since 2012) 72 (2007) 1461–1471
50. Study of Species-specific Carcinogenicity of Benzene Derivatives 1. Combination of CoMFA and GRID Analysis
F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati
Oxid. Commun. 30 (2007) 891-911
51. Study of Species-specific Carcinogenicity of Benzene Derivatives 2. Combination of Docking and Local Binding Energy (LBE) Analysis
F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati
Oxid. Commun. 30 (2007) 912-926
52. Quantum-chemical Approach to Silybin A and Silybin B Antioxidant Activity Investigation
Zh. Velkov, A. Tadjer
Annual of Konstantin Preslavsky University, Shumen, Faculty of Natural Sciences, 28 B2 (2007) 178-187
53. Molecular Modelling and Statistical Analysis of Scavenging/Antioxidant Activity of Phenolic Compounds
Zh. Velkov, M. Kolev, A. Tadjer
Proc. XIV Natl. Congress Appl. Mathematics in Biology and Medicine (2008) 134-139
54. Anticancer Activity of Spin-Labeled Nitrosoureas as a Function of the LUMO Energy
M. Kolev, A. Tadjer, Zh. Velkov
IEEE Proc. HSI 2008 (2008) 557-559
55. Dielectric Properties Tangential to the Interface in Model Insoluble Monolayers – Theoretical Assessment
P. G. Shushkov, S. A. Tzvetanov, A. N. Ivanova, A. V. Tadjer
Langmuir, 24 (2008) 4614-4624
56. Unprecedented Route to Ordered Polyaniline: Direct Synthesis of Highly-Crystalline Fibrillar Films with Strong pi-pi Stacking Alignment
N. Gospodinova, D. A. Ivanov, D. V. Anokhin, I. Mihai, L. Vidal, S. Brun, J. Romanova, A. Tadjer
Macromolec. Rapid Commun., 30 (2009) 29-33
57. Melatonin: Quantum-chemical and Biochemical Investigation of Antioxidant Activity
Zh. Velkov, Y. Velkov, B. Galunska, D. Paskalev, A. Tadjer
Eur. J. Medicinal Chem., 44 (2009) 2834-2839
58. An In-depth Theoretical Approach to the Design of Hybrid-Spin Systems
J. Romanova, T. Miteva, A. Ivanova, A. Tadjer, M. Baumgarten
Phys. Chem. Chem. Phys., 11 (2009) 9545–9555
59. **Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers
J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer
Prog. Theor. Chem. Phys., 20 (2009) 219-251
60. Stability of oligonucleotides as a criterion for resistance of the genetic code
I. Trenchev, P. Milanov, Zh. Velkov, N. Pencheva, A. Tadjer
Scientific Research Journal of South-West University, 2 (2009) 11-19
61. Theoretical study on the structural aspects of Cu(II) hybrid-spin complexes
T. Miteva, J. Romanova, A. Ivanova, A. Tadjer, M. Baumgarten
Eur. J. Inorg. Chem. (2010) 379-390
62. Polyaniline-Water Interactions: a Theoretical Investigation with the Polarisable Continuum Model
J. Romanova, J. Petrova, A. Tadjer and N. Gospodinova
Synth. Metals 160 (2010) 1050-1054
63. Theoretical study on the emeraldine salt - impact of the computational protocol
J. Romanova, J. Petrova, A. Ivanova, A. Tadjer, N. Gospodinova
Journal of Molecular Structure (THEOCHEM) 954 (2010) 36-44
64. Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers – size effect
S. Tzvetanov, Ph. Shushkov, M. Velinova, A. Ivanova, A. Tadjer
Langmuir, 26 (2010) 8093-8105
65. Structural Aspects of Lipid Monolayers: Computer Simulation Analyses
Ph. Shushkov, S. Tzvetanov, M. Velinova, A. Ivanova, A. Tadjer
Langmuir, 26 (2010) 8081-8092
66. Boron–nitrogen- and boron-substituted anthracenes and –phenanthrenes as models for doped carbon-based materials
M. Velinova, V. Georgiev, T. Todorova, G. Madjarova, A. Ivanova, A. Tadjer
Journal of Molecular Structure (THEOCHEM) 955 (2010) 97-108
67. Systematic theoretical study of Li adsorption on stable BN- and B-substituted aromatic hydrocarbons
M. Velinova, G. Madjarova, A. Ivanova, A. Tadjer
Journal of Molecular Structure (THEOCHEM) 955 (2010) 109-122
68. Solvent Polarity and Dopant Effect on the Electronic Structure of the Emeraldine Salt
J. Romanova, G. Мadjarova, A. Tadjer, N. Gospodinova
International Journal of Quantum Chemistry 111 (2011) 435-443
69. Coarse-Grained Molecular Dynamics Simulation of Micelle Formation for Peptide Encapsulation Purposes
M. Velinova, D. Sengupta, S. J. Marrink, A. Tadjer
Science and Supercomputing in Europe; Research Highlights 2010, HPC-Europa2 Report 2010, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia, p.57
70. **Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations
M. Velinova, Y. Tsoneva, Ph. Shushkov, A. Ivanova, A. Tadjer
in: Progress in Theoretical Chemistry and Physics, 22, Advances in the Theory of Quantum Systems in Chemistry, P.E. Hoggan et al. (eds.), Chapter 26, pp.461-480
DOI 10.1007/978-94-007-2076-3 26, © Springer Science+Business Media B.V. 2011
71. Fully Doped Oligomers of Emeraldine Salt – Polaronic versus Bipolaronic Configuration
J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer
J. Phys. Chem. B, DOI: 10.1021/jp111914n; 115 (2011) 3765-3776
72. Sphere-to-Rod Transitions of Nonionic Surfactant Micelles in Aqueous Solution Modeled by Molecular Dynamics Simulations
M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink
Langmuir 27 (2011) 14071–14077, DOI: 10.1021/la203055t
73. Penetration of an Antimicrobial Peptide into a Model Cell Membrane - Coarse-Grained Molecular Dynamics Simulations
M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink
Science and Supercomputing in Europe; Research Highlights 2011, HPC-Europa2 Report 2011, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia, p.30
74. Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from MD Simulations
Maria Velinova, Y. Tsoneva, A. Ivanova, A. Tadjer
J. Phys. Chem. B 116 (2012) 4879−4888
75. Absorption Spectra of Model Single Chains of Conducting Polyaniline
J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer
JPC B 116 (2012) 6543−6552
76. Coarse-grained molecular dynamics simulation of model cell membrane permeabilization by Protegrin
M. Velinova, A. Tadjer, S.-J. Marrink
Science and Supercomputing in Europe; Research Highlights 2012, HPC-Europa2 Report 2012, Chem0993, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia,
77. Estimation of the influence of environmental effects on the properties of conducting polyaniline - the presence of explicit water molecules
J. Petrova, A. Tadjer, I. Ciofini, C. Adamo
Science and Supercomputing in Europe; Research Highlights 2012, HPC-Europa2 Report 2012, Chem1186, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia,
78. Structure and Aggregation Proclivity of C12E3 in Aqueous Solution
Ts. Zahariev, A. Ivanova, M. Velinova, A. Tadjer
CHEMPHYS 410 (2013) 1-8
79. Magnetostructural Correlation in Mn(II) Hybrid-spin Complexes – Effect of Ligands and Geometry
A. Ivanova, J. Romanova, A. Tadjer, M. Baumgarten
JPC A 117 (2013) 670-678
80. Conformation of arenicin AMPs at a polar/nonpolar interface
Maria Velinova, N. Ilkova, A. Tadjer
Nanoscience and Nanotechnology 13 (2013) 20-25
81. Structure of flavones and flavonoles. Part I: Role of substituents on the planarity of the system
Ts. Todorova, Zh. Velkov, A. Tadjer,
Computational and Theoretical Chemistry 1017 (2013) 85-90 doi.org/10.1016/j.comptc.2013.05.005
82. Tuning the Optical Absorption of Potential Blue Emitters
G. Valchanov, A. Ivanova, A. Tadjer, D. Chercka, M. Baumgarten
Organic Electronics 14 (2013) 2727-2736
83. Fully atomistic molecular-mechanical model of liquid alkane oils: A Computational validation
Ts. K. Zahariev, R. I. Slavchov, A. V. Tadjer, A. N. Ivanova
Journal of Computational Chemistry 35 (2014) 776-788
84. Как комбинацията от класическия и квантовия подход донесе Нобелова награда по химия
Цв. Захариев, А. Таджер
Природа (2013) бр. 5, 15-19
85. Атомистични водни модели (обзор)
Я. Цонева, А. Таджер
Bulg. J. Chem. 3 (2014) 65-93
86. Molecular Structure and Pronounced Conformational Flexibility of Doxorubicin in Free and Conjugated State within a Drug-Peptide Compound
Y. Tsoneva, H. Jonker, M. Wagner, A. Tadjer, M. Lelle, K. Peneva, A. Ivanova
J. Phys. Chem. B 119 (2015) 3001−3013, DOI: 10,1021/jp509320q
87. Synthesis and characterization of terbium(III) complexes with the biscoumarin derivative 3,3′-[(4-hydroxyphenyl)methyl]bis-(4-hydroxy-2H-chromen-2-one)
D. Elenkova, R. Monov, A. Tadjer, I. Manolov, M. Milanova
J. Molec. Struc. 1106 (2016) 491-500 (DOI: 10.1016/j.molstruc.2015.10.026)
88. Transfer of non-ionic surfactants across the water-oil interface: A molecular dynamics study
Tz. Zahariev, A. Tadjer, A. Ivanova
Colloids and Surfaces A 506 (2016) 20-31 (http://dx.doi.org/10.1016/j.colsurfa.2016.06.003)
89. NMR characterization of dilauroyl phosphatidylcholine in adsorbed monolayers at fluid interfaces studied by multiscale computations
Y. Tsoneva, A. Tadjer, Tz. Mineva
Int. J. Quant. Chem. 116 (2016) 1419-1426 (DOI 10.1002/qua.25198)
90. Understanding the Fluorescence of TADF Light-Emitting Dyes,
G. Valchanov, A. Ivanova, A. Tadjer, D. Chercka, M. Baumgarten
J. Phys. Chem. A, 120 (2016) 6944–6955 (DOI: 10.1021/acs.jpca.6b06680)
91. **Water structuring at non-polar fluid interfaces
Y. Tsoneva, A. Tadjer,
Prog. Theor. Chem. Phys. 30 (2017) 119-138 (DOI 10.1007/978-3-319-50255-7_7)
92. Density Functional Theory Assessment of the Environment Polarity Effect on Polyaniline-Water Coupling
J. Petrova, A. Ivanova, A. Tadjer
J. Phys. Chem. A 121 (2017), 6327–6335, DOI: 10.1021/acs.jpca.7b04663
93. Impact of hydroxylation on the photophysics of chalcones: insights on the relation between chemical composition and electronic structure
D. A. Kalchevski, V. Petrov, A. Tadjer, A. Nenov
Phys. Chem. Chem. Phys. 20 (2018) 8924-8934 (https://doi.org/10.1039/c8cp00602d)
94. Different pathways of the para-O-H bond dissociation in di- and trihydroxyphenolic acids: a DFT investigation
Zh. A. Velkov, L. P. Muteva, A. Tadjer
Bulg. Chem. Commun. 50C (2018) 308 – 314.
95. In Silico SAR Studies of HIV-1 Inhibitors
I. Hdoufane, I. Bjij, M. Soliman, A. Tadjer, D. Villemin, J. Bogdanov, D. Cherqaoui
MDPI: Pharmaceuticals 11 (2018) 69, 14 pages; DOI:10.3390/ph11030069
96. Topology Dependent Dissociation Mode of the O-H Bond in Monohydroxycoumarins
Zh. A. Velkov, M. Traykov, I. Trenchev, L. Saso, A. Tadjer
J. Phys. Chem. A 123 (2019) 5106-5113, DOI: 10.1021/acs.jpca.9b00535
97. QSAR and Molecular Docking Studies of Indole-based Analogs as HIV-1 Attachment Inhibitors
I. Hdoufane, J. Stoycheva, A. Tadjer, D. Villemin, M. Najdoska-Bogdanov, J. Bogdanov, D. Cherqaoui
J. Molecular Structure 1193 (2019) 429-443, DOI: 10.1016/j.molstruc.2019.05.056
98. Insight into the Function of Electrode and Electrolyte Materials in a Hybrid Lithium-Sodium Ion Cell
M. Kalapsazova, H. Rasheev, E. Zhecheva, A. Tadjer, R. Stoyanova
J. Phys. Chem. C, 123 (2019) 11508-11521, DOI: 10.1021/acs.jpcc.9b01993.
99. Boron-Doped Polycyclic Aromatic Hydrocarbons: A Molecular Set Revealing the Interplay between Topology and Singlet Fission Propensity
J. Stoycheva, A. Tadjer, M. Garavelli, M. Spassova, A. Nenov, J. Romanova
J. Phys. Chem. Lett. 11 (2020) 1390-1396, DOI: 10.1021/acs.jpclett.9b03406.
100. Fundamental promise of anthraquinone functionalized graphene based next generation battery electrodes: a DFT study
H. G. Rasheev, R. B. Araujo, A. Tadjer, P. Johansson
J. Mater. Chem. A, 8, (2020), 14152-14161, DOI: 10.1039/D0TA04780E.
101. Topology Delimited Radical-Scavenging Propensity of Monohydroxycinnamic Acids
L. Borislavov, Zh. A. Velkov, A. Tadjer
Int. J. Quant. Chem. 120 (2020) 1-9, DOI: 10.1002/qua.26329
102. Singlet fission chromophores for organic solar cells: chemical database from quantum-chemical calculations
L. Borislavov, M. Nedyalkova, R. Lyapchev, G. Kostadinova, J. Stoycheva, I. Kichev, V. Petrov, A. Tadjer and J. Romanova
Proceedings of the ICEESEN 2020, “International Conference on Energy, Environment and Storage of Energy”
103. Dual‐Metal Electrolytes for Hybrid Ion Batteries: Synergism or Antagonism?
H. Rasheev, R. Stoyanova, A. Tadjer
ChemPhysChem., 22 (2021) 1110-1123, DOI: 10.1002/cphc.202100066
104.Women in the singlet fission world: pearls in a semi-open shell
J. Stoycheva, A. Tadjer, J. Romanova
MDPI-Molecules, 26 (2021) 2922, DOI: https://doi.org/10.3390/molecules26102922
105. The interplay between diradical character and stability in organic molecules
V. Petakova, M. Nedyalkova, J. Stoycheva, A. Tadjer, J. Romanova
MDPI-Symmetry, 13 (2021) 1448 (11 pages), DOI: https://doi.org/10.3390/ sym13081448
106. Rivalry at the Interface: Ion Desolvation and Electrolyte Degradation in Model Ethylene Carbonate Complexes of Li+, Na+, and Mg2+ with PF6– on the Li4Ti5O12 (111) Surface
H. Rasheev, R. Stoyanova, A. Tadjer
ACS Omega, 6, 44, (2021) 29735–29745; https://doi.org/10.1021/acsomega.1c04161
107. Automated generation of molecular derivatives – DerGen software package
Ilia Kichev, Lyuben Borislavov, Alia Tadjer
Materials Today Proceedings, 61(4) (2022) 1287-1291, https://doi.org/10.1016/j.matpr.2022.04.628
108. Mononuclear copper(II) complexes of the macrolide antibiotics tylosin and tilmicosin
Radoslava D. Stambolyiska, Nikolay N. Petkov, Alia V. Tadjer, Svetlana D. Simova, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva
Transition Metal Chemistry, 47 (2022) 67-76, https://doi.org/10.1007/s11243-022-00491-x
109. Redox Hyperactive MOF for Li+, Na+ and Mg2+ Storage
H. Rasheev, Agnieszka Seremak, R. Stoyanova, A. Tadjer
MDPI – Molecules, 27(3) (2022) 586; https://doi.org/10.3390/molecules27030586
110. Dinuclear vs. mononuclear copper(II) coordination species of tylosin and tilmicosin in non-aqueous solutions
Ivayla Pantcheva, Radoslava D. Stambolyiska, Nikolay N. Petkov, Alia V. Tadjer, Svetlana D. Simova, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov
MDPI - Molecules, 27(12) (2022) 3899, https://doi.org/10.3390/molecules27123899
111. Molecular Engineering of Quinone‐Based Nickel Complexes and Polymers for All‐Organic Li‐Ion Batteries
Y. Danchovski, H. Rasheev, R. Stoyanova, A. Tadjer
MDPI – Molecules, 27 (2022) 6805; https://doi.org/10.3390/ molecules27206805
112. In Situ Electron Paramagnetic Resonance Monitoring of Predegradation Radical Generation in a Lithium Electrolyte
R. Kukeva, M. Kalapsazova, H. Rasheev, G. Vassilev, A. Tadjer, R. Stoyanova
J. Phys. Chem. Lett. 14 (2023) 9633-9639, DOI: 10.1021/acs.jpclett.3c02374.
113. Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets
L. Borislavov, M. Nedyalkova, A. Tadjer, O. Aydemir, J. Romanova
J. Phys. Chem. Lett. 14 (2023) 10103-10112, DOI: 10.1021/acs.jpclett.3c02365.
114. Machine Learning Prediction of the Redox Activity of Quinones
I. Kichev, L. Borislavov, A. Tadjer, R. Stoyanova
MDPI-Materials 16 (2023) 6687, DOI: 10.3390/ma16206687.
115. Experimental and DFT Study of Monensinate and Salinomycinate Complexes Containing {Fe3(µ3–O)}7+ Core
Nikolay N. Petkov, Alia V. Tadjer, Elzhana Encheva, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva,
MDPI - Molecules, 29 (2024) 364, https://doi.org/ 10.3390/molecules29020364
116. Synthesis, Spectral Characterization, and Structural Modelling of Di- and Trinuclear Iron(III) Monensinates with Different Bridging Patterns
Nikolay N. Petkov, Alia V. Tadjer, Svetlana Simova, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva,
MDPI – Inorganics, 12 (2024) 114. https://doi.org/10.3390/inorganics12040114
** book chapter
Monograph
POLYMETHINE DYES / Structure and Properties, N.Tyutyulkov, J.Fabian, A.Mehlhorn, F.Dietz, A.Tadjer, St.Kliment Ohridski University Press, Sofia, 1991 (in English)