Pekka Pyykkö

Research interests

Publications

• Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary

  The Journal of Physical Chemistry A · 2014 · 10.1021/jp5065819

• Relativistic Effects in Chemistry: More Common Than You Thought

  Annual Review of Physical Chemistry · 2012 · 10.1146/annurev-physchem-032511-143755

• Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

  Physical Review Letters · 2009 · https://doi.org/10.1103/physrevlett.102.126807

• Molecular Double‐Bond Covalent Radii for Elements Li–E112

  Chemistry - A European Journal · 2009 · https://doi.org/10.1002/chem.200901472

• Theoretical chemistry of gold. III

  Chemical Society Reviews · 2008 · 10.1039/b708613j

• Year-2008 nuclear quadrupole moments

  Molecular Physics · 2008 · 10.1080/00268970802018367

• Molecular Tweezers for Hydrogen: Synthesis, Characterization, and Reactivity

  Journal of the American Chemical Society · 2008 · 10.1021/ja806627s

• Molecular Single‐Bond Covalent Radii for Elements 1–118

  Chemistry - A European Journal · 2008 · https://doi.org/10.1002/chem.200800987

• Triple‐Bond Covalent Radii

  Chemistry - A European Journal · 2005 · 10.1002/chem.200401299

• Theoretical chemistry of gold. II

  Inorganica Chimica Acta · 2005 · 10.1016/j.ica.2005.06.028

• Theoretical Chemistry of Gold

  Angewandte Chemie International Edition · 2004 · https://doi.org/10.1002/anie.200300624

• Theoretische Chemie des Golds

  Angewandte Chemie · 2004 · 10.1002/ange.200300624

• Icosahedral WAu12: A Predicted Closed-Shell Species, Stabilized by Aurophilic Attraction and Relativity and in Accord with the 18-Electron Rule This work was supported by The Academy of Finland. The computations were carried out at CSC, Espoo, Finland.

  Angewandte Chemie International Edition · 2002 · 10.1002/1521-3773(20020617)41:12<2174::aid-anie2174>3.0.co;2-8

• Spectroscopic nuclear quadrupole moments

  Molecular Physics · 2001 · 10.1080/00268970110069010

• Luminescent Characterization of Solution Oligomerization Process Mediated Gold−Gold Interactions. DFT Calculations on [Au 2 Ag 2 R 4 L 2 ] n Moieties

  Journal of the American Chemical Society · 2000 · https://doi.org/10.1021/ja9942540

• Cationic Gold(I) Complexes of Xenon and of Ligands Containing the Donor Atoms Oxygen, Nitrogen, Phosphorus, and Sulfur

  Inorganic Chemistry · 1998 · 10.1021/ic970986m

• How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds

  Chemistry - A European Journal · 1998 · 10.1002/(sici)1521-3765(199801)4:1<118::aid-chem118>3.0.co;2-6

• Theory of the d10–d10 Closed‐Shell Attraction: 1. Dimers Near Equilibrium

  Chemistry - A European Journal · 1997 · 10.1002/chem.19970030911

• Strong Closed-Shell Interactions in Inorganic Chemistry

  Chemical Reviews · 1997 · https://doi.org/10.1021/cr940396v

• Predicted ligand dependence of the Au(I)…Au(I) attraction in (XAuPH3)2

  Chemical Physics Letters · 1994 · 10.1016/0009-2614(93)e1447-o

• Ab initio Calculations on the (ClAuPH3)2 Dimer with Relativistic Pseudopotential: Is the “Aurophilic Attraction” a Correlation Effect?

  Angewandte Chemie International Edition in English · 1991 · 10.1002/anie.199106041

• Relativistic effects in structural chemistry

  Chemical Reviews · 1988 · https://doi.org/10.1021/cr00085a006

• Fully numerical hartree-fock methods for molecules

  Computer Physics Reports · 1986 · https://doi.org/10.1016/0167-7977(86)90021-3

• Relativity and the periodic system of elements

  Accounts of Chemical Research · 1979 · 10.1021/ar50140a002

• Relativistic Quantum Chemistry

  Advances in quantum chemistry · 1978 · 10.1016/s0065-3276(08)60241-5

Current projects

No projects listed.