Peter Macak

Address:
Laboratory of Theoretical Chemistry
AlbaNova University Center
Royal Instritute of Technology
SE-106 91, Stockholm
Sweden

Phone (work): +46 5537 8720
Email: pemac at theochem.kth.se

From September 2004 I am a post-doc at the theoretical chemistry group at the department of biotechnology at the department of biotechnology at the Royal Institute of Technology (KTH) in Stockholm.

From May 2003 to August 2004 I was a post-doc at the Quantum Chemistry Group at the Department of Physics, Stockholm University. I was working with prof. Ulf Wahlgren on actinide chemistry.

From May 2002 to May 2003 I spent one year as a post-doc in the Theoretical Chemistry Group at the University of Oslo. I was working with prof. Trygve Helgaker on the implementation of fast evaluation of Coulomb integrals in the DALTON quantum chemitry program.

In May 2002 I have finished my PhD studies at the Theoretical Chemistry group of prof. Hans Ågren at the Royal Institute of Technology (KTH), Stockholm, Sweden. My research project was concerned with solvent and vibrational effects on the nonlinear optical properties (NLO) of the molecules, in particular two photon absorption cross sections.

Most recent publications:

Macak, P.; Fromager, E.; Privalov, T.; Schimmelpfennig, B.; Grenthe, I. and Wahlgren, U.
Electron Transfer in Neptunyl(VI)-Neptunyl(V) Complexes in Solution
J. Phys. Chem. A., 109(22), 4950 (2005)

Fromager, E.; Vallet, V.; Schimmelpfennig, B.; Macak, P.; Privalov, T. and Wahlgren, U.
Spin-Orbit Effects in Electron Transfer in Neptunyl(VI)-Neptunyl(V) Complexes in Solution
J. Phys. Chem. A., 109(22), 4957 (2005)

Privalov, T.; Macak, P.; Fromager, E.; Schimmelpfennig, B.; Wahlgren, U. and Grenthe, I.
Electron Transfer in Uranyl(VI)-Uranyl(V) Complexes in Solutions
J. Am. Chem. Soc., 126, 9801 (2004)

Watson, M.; Salek, P.; Macak, P.; Jaszunski, M. and Helgaker, T.
Linear-scaling formation of Kohn-Sham Hamiltonian: Application to the calculation
of excitation energies and polarizabilities of large molecular systems
J. Chem. Phys., 121, 2915 (2004)

Watson, M.; Salek, P.; Macak, P.; Jaszunski, M. and Helgaker, T.
The Calculation of Indirect Spin-Spin Coupling Constants in Large Molecules
Chemitry - A European Journal, 10, 4627 (2004)



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