• 5495 Citations
  • 32 h-Index
19972019
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Fingerprint Dive into the research topics where M. Kállay is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 9 Similar Profiles
Thermochemistry Chemical Compounds
excitation Physics & Astronomy
thermochemistry Physics & Astronomy
Molecules Chemical Compounds
orbitals Physics & Astronomy
Derivatives Chemical Compounds
Excited states Chemical Compounds
Wave functions Chemical Compounds

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Research Output 1997 2019

  • 5495 Citations
  • 32 h-Index
  • 116 Article
  • 1 Review article
orbitals
Atoms
Molecules
Extrapolation
Program processors
Excitation energy
Electron transitions
moments
excitation
Density functional theory

Oxygen reduction reaction on TiO2 rutile (1 1 0) surface in the presence of bridging hydroxyl groups

Ganyecz, Á., Mezei, P. D. & Kállay, M., Nov 15 2019, In : Computational and Theoretical Chemistry. 1168, 112607.

Research output: Contribution to journalArticle

Open Access
rutile
Hydroxyl Radical
Oxygen
oxygen
Adsorption