Milen K. Kostov

Ab initio simulations of chemical reactions in nanostructured carbon materials

In Quantum chemical calculations of surfaces and interfaces of materials. Stevenson Ranch, Calif.: American Scientific Publishers,

Confinement effects on chemical reactions - Toward an integrated rational catalyst design

Applied Surface Science, 253(13), 5570–5579.

Adsorption and catalysis: The effect of confinement on chemical reactions

Applied Surface Science, 252(3), 766–777.

Dissociation of water on defective carbon substrates

Physical Review Letters, 95(13).

Phonons and specific heat of neon and methane on the surface of a nanotube bundle

Physical Review. B, Condensed Matter and Materials Physics, 68(24).