Curcumin tautomers stabilization in water and in methanol – comparing the effect of explicit solvation by using ab initio dynamical simulations. Kalchevski, D. A.; Kolev, S. L.; Zaharieva, L.; Trifonov, D.; Milenov, T.; Antonov, L. Journal of Molecular Liquids, 437: 128526. 2025.
DOI: doi.org/10.1016/j.molliq.2025.128526

Ab initio metadynamics study revealing multiple mechanisms of reactivity of a primal carbon cluster towards hydrogen and ammonia in space. Kalchevski, D. A.; Kolev, S. K.; Trifonov, D. V.; Grozev, I. G.; Aleksandrov, H. A.; Popov, V. N.; Milenov, T. I. Nanomaterials, 15(14): 1110. 2025.
DOI: doi.org/10.3390/nano15141110

The Study of the Synthesis of SiC by the Carbonization of Si(111) Substrates: The Role of Native Silicon Oxide. Milenov, T. I.; Mehandzhiev, V.; Rafailov, P.; Avramova, I.; Zahariev, I.; Avdeev, G.; Karashanova, D.; Georgieva, B.; Terziyska, P.; Kirilov, K.; Blagoev, B.; Kolev, S. K.; Dimov, D.; Kalchevski, D. A.; Karaivanova, D.; Popov, V. Applied Sciences, 15(13): 7078. 2025.
DOI: doi.org/10.3390/app15137078

A Comparative Study on Synthesizing SiC via Carbonization of Si (001) and Si (111) Substrates by Chemical Vapor Deposition. Milenov, T. I.; Avramova, I.; Mehandziev, V.; Zahariev, I.; Avdeev, G.; Karashanova, D.; Georgieva, B.; Blagoev, B.; Kirilov, K.; Rafailov, P.; Kolev, S. K.; Dimov, D.; Karaivanova, D.; Kalchevski, D. A.; Trifonov, D.; Grozev, I.; Popov, V. Materials, 18(14): 3239. 2025.
DOI: doi.org/10.3390/ma18143239

A Complete Energy Model for Graphene Flake Growth with the Fewest Possible Dangling Bonds. Grozev, I. G.; Kalchevski, D. A.; Trifonov, D. V.; Kolev, S. K.; Aleksandrov, H. A.; Popov, V. N.; Milenov, T. I. Nanomaterials, 15(10): 723. 2025.
DOI: doi.org/10.3390/nano15100723

Theoretical study on the mechanisms of formation of primal carbon clusters and nanoparticles in space. Kalchevski, D. A.; Trifonov, D. V.; Kolev, S. K.; Popov, V. N.; Aleksandrov, H. A.; Milenov, T. I. Physical Chemistry Chemical Physics, 27: 1819-1833. 2025.
DOI: doi.org/10.1039/D4CP02865A

Ab Initio MD Study of the Mechanism of Carbonization of Si(001) Surfaces with Methane at High Temperatures. Kalchevski, D. A.; Trifonov, D. V.; Kolev, S. K.; Aleksandrov, H. A.; Dimov, D. A.; Popov, V. N.; Milenov, T. I. Coatings, 27(4): 427. 2025.
DOI: doi.org/10.3390/coatings15040427

Some initial results on the reactivity of a primal carbon cluster towards ammonia in space. Kalchevski, D. A.; Trifonov, D.; Kolev, S. K.; Popov, V.; Aleksandrov, H.; Dimov, D. A.; Milenov, T. I. Journal of Physics: Conference Series, 2994: 012020. 2025.
DOI: doi.org/10.1088/1742-6596/2994/1/012020

Some initial results on modification of aC:H films by UV-C irradiation. Some initial results on modification of aC:H films by UV-C irradiation. Milenov, T. I.; Karaivanova, D.; Stankova, N.; Dimov, D.; Trifonov, D.; Kalchevski, D. A.; Kolev, S. K.; Kirilov, K.; Valcheva, E. Journal of Physics: Conference Series, 2994: 012027. 2025.
DOI: doi.org/10.1088/1742-6596/2994/1/012027

A Theoretical Examination of Various Complexes of a Proposed Novel Chemosensor Material—Graphene/SiC by Kalchevski, D. A.; Kolev, S. K.; Dimov, D. A.; Trifonov, D.; Avramova, I.; Ivanova, P.; Milenov, T. I. Chemosensors, 12(11): 239. October 2024.
DOI: doi.org/10.3390/chemosensors12110239

Ab initio study of the mechanism of carbonization of {111} Si-substrate at high temperature. Kalchevski, D. A.; Trifonov, D. V.; Kolev, S. K.; Aleksandrov, H. A.; Milenov, T. I. Materials Chemistry and Physics, 317: 129180. 2024
DOI: doi.org/10.1016/j.matchemphys.2024.129180

Study of the Chemical Vapor Deposition of Nano-Sized Carbon Phases on {001} Silicon. Milenov, T.; Trifonov, D.; Kalchevski, D. A.; Kolev, S.; Avramova, I.; Russev, S.; Genkov, K.; Avdeev, G.; Dimov, D.; Karaivanova, D. M.; and Valcheva, E. Materials, 16(22): 7190. 2023.
DOI: doi.org/10.3390/ma16227190

Impacts of hydroxylation on the photophysics of chalcones: insights into the relation between the chemical composition and the electronic structure. Kalchevski, D. A.; Petrov, V.; Tadjer, A.; Nenov, A. Physical Chemistry and Chemical Physics, 20(13): 8924–8934. 2018
DOI: dx.doi.org/10.1039/C8CP00602D