• 13372 Citations
  • 54 h-Index
1977 …2019
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Fingerprint Fingerprint is based on mining the text of the experts' scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 3 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 2019

  • 13372 Citations
  • 54 h-Index
  • 587 Article
  • 5 Chapter
  • 2 Conference contribution

Calculations of the Lu 3 N@C 80 two-isomer equilibrium

Slanina, Z., Uhlík, F., Feng, L., Akasaka, T., Lu, X. & Adamowicz, L., Jan 1 2019, In : Fullerenes Nanotubes and Carbon Nanostructures.

Research output: Contribution to journalArticle

Isomers
isomers
symmetry
Gibbs free energy
Potential energy
Born approximation
Born-Oppenheimer approximation
Excited states
Ground state
ground state

Theoretical modeling of DNA electron hole transport through polypyrimidine sequences: a QM/MM study

Woźniak, A. P., Leś, A. & Adamowicz, L., Apr 1 2019, In : Journal of Molecular Modeling. 25, 4, 97.

Research output: Contribution to journalArticle

Guanine
DNA
deoxyribonucleic acid
Molecular electronics
Electrons

A computational quantum-mechanical model of a molecular magnetic trap

Adamowicz, L., Stanke, M., Tellgren, E. & Helgaker, T., Dec 28 2018, In : Journal of Chemical Physics. 149, 24, 244112.

Research output: Contribution to journalArticle

traps
cavities
translational motion
Wave functions
center of mass
1 Citation (Scopus)

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

Isomers
partitions
isomers
Gibbs free energy
thermodynamic equilibrium