We employed ab initio Born−Oppenheimer molecular dynamics in order to reveal the explicit solvation effects of methanol and water on the tautomeric eq…

A combined theoretical/experimental study of the photoreactivity of two flavylium-derived chalcones, 2,4,4′-trihydroxychalcone and 2,4′-dihydroxychalcone, at the multiconfigurational wavefunction leve...

Some initial results on the reactivity of a primal carbon cluster towards ammonia in space, Kalchevski, Dobromir Antonov, Trifonov, Dimitar, Kolev, Stefan Kolev, Popov, Valentin, Aleksandrov, Hristiyan, Dimov, Dimitar Angelov, Milenov, Teodor Ivanov

Some initial results on modification of aC:H films by UV-C irradiation, Milenov, T, Karaivanova, D, Stankova, N, Dimov, D, Trifonov, D, Kalchevski, D, Kolev, S, Kirilov, K, Valcheva, E

Modification of the structure and composition of tantalum oxynitride coatings depending on the deposition conditions, Donkov, N, Zykova, A, Safonov, V, Dudin, S, Yakovin, S, Sawczak, M, Klein, M, Kolev, G

Some initial results on synthesis of nanoparticles from BaTiO3 by pulsed laser ablation in liquid media, Balchev, I, Stankova, N, Dimov, D, Karaivanova, D, Gancheva, M, Iordanova, R, Avdeev, G, Zahariev, I, Genkov, K, Zyapkov, A, Milenov, T

We present a theoretical study of assembling clusters and nanoparticles in space from primordial aggregations of unbound carbon atoms. Geometry optimization and SCC-DFTB dynamics methods are employed ...

The potential of semiconducting, corrugated graphene, grown on silicon carbide, as an active element in chemosensors is studied in the present work. For this purpose, the adsorption of benzene, diazep...

Different nano-sized phases were synthesized using chemical vapor deposition (CVD) processes. The deposition took place on {001} Si substrates at about 1150–1160 °C. The carbon source was thermally de...