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Julien Guthmuller
Research areas


Interatomic potentials

   in physics

EGAS 2009

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Dr hab. Julien Guthmuller

Department of Theoretical Physics And Quantum Informatics
Faculty of Applied Physics and Mathematics
Gdansk University of Technology

Narutowicza 11/12, 80-952 Gdansk, Poland
Phone / Fax:
E-mail: jguthmuller@mif.pg.gda.pl
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Selected publications

- J. Guthmuller, J. Chem. Theory Comput. 7 (2011) 1082-1089, "Assessment of TD-DFT and CC2 methods for the calculation of resonance Raman intensities: Application to o-nitrophenol."

- S. Kupfer, J. Guthmuller, M. Wächtler, S. Losse, S. Rau, B. Dietzek, J. Popp and L. González, Phys. Chem. Chem. Phys. 13 (2011) 15580-15588, "Protonation effects on the resonance Raman properties of a novel (terpyridine)Ru(4H-imidazole) complex: An experimental and theoretical case study."

- J. Guthmuller, F. Zutterman and B. Champagne, J. Chem. Phys. 131 (2009) 154302, "Multimode simulation of dimer absorption spectra from first principles calculations: Application to the 3,4,9,10-perylenetetracarboxylic diimide dimer."

- J. Guthmuller, F. Cecchet, D. Lis, Y. Caudano, A. A. Mani, P. A. Thiry, A. Peremans and B. Champagne, ChemPhysChem 10 (2009) 2132-2142, "Theoretical Simulation of Vibrational Sum-Frequency Generation Spectra from Density Functional Theory: Application to p-Nitrothiophenol and 2,4-Dinitroaniline."

- J. Guthmuller and B. Champagne, J. Chem. Phys. 127 (2007) 164507, "Time dependent density functional theory investigation of the resonance Raman properties of the julolidinemalononitrile push-pull chromophore in various solvents."

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