• 12828 Citations
  • 53 h-Index
1977 …2018
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  • 4 Similar Profiles
Molecules Chemical Compounds
Wave functions Chemical Compounds
Electrons Chemical Compounds
Anions Chemical Compounds
molecules Physics & Astronomy
energy Physics & Astronomy
Electron affinity Chemical Compounds
anions Physics & Astronomy

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Research Output 1977 2018

  • 12828 Citations
  • 53 h-Index
  • 581 Article
  • 4 Chapter
  • 2 Conference contribution

Calculated relative populations of Sm@C82 isomers

Slanina, Z., Uhlík, F., Feng, L. & Adamowicz, L. May 4 2018 In : Fullerenes Nanotubes and Carbon Nanostructures. 26, 5, p. 233-238 6 p.

Research output: Contribution to journalArticle

partitions
Gibbs free energy
thermodynamic equilibrium
Isomers
Density functional theory

Cyclic water-trimer encapsulation into D2(22)-C84 fullerene

Slanina, Z., Uhlík, F., Nagase, S., Akasaka, T., Lu, X. & Adamowicz, L. Mar 1 2018 In : Chemical Physics Letters. 695, p. 245-248 4 p.

Research output: Contribution to journalArticle

Fullerenes
trimers
Potential energy
Encapsulation
fullerenes

Graphene induced molecular flattening of meso-5,10,15,20-tetraphenyl porphyrin: DFT calculations and molecular dynamics simulations

Karachevtsev, V. A., Stepanian, S. G., Karachevtsev, M. V. & Adamowicz, L. Jun 1 2018 In : Computational and Theoretical Chemistry. 1133, p. 1-6 6 p.

Research output: Contribution to journalArticle

Graphite
Porphyrins
flattening
Molecular Dynamics Simulation
porphyrins
Perturbation techniques
Wave functions
wave functions
Atoms
Electrons
2 Citations

A computational characterization of CO@C60

Slanina, Z., Uhlík, F., Nagase, S., Akasaka, T., Adamowicz, L. & Lu, X. Nov 2 2017 In : Fullerenes Nanotubes and Carbon Nanostructures. 25, 11, p. 624-629 6 p.

Research output: Contribution to journalArticle

Beryllia
Fullerenes
Encapsulation
Carbon monoxide
carbon monoxide