Leticia González
Contact
Prof. Dr. Leticia González
Univ. Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
A-1090 Vienna
Austria
website,
mail
Expertise
Metals: Cu,
Ru
Techniques: CASPT2/CASSCF, DMRG, DFT, Dynamics
Resources: CPUs, Supercomp.
Recent publications
A.R. Santos, D. Escudero, L. González, and G. Orellana
"Unravelling the Quenching Mechanisms of a Luminescent RuII Probe for CuII "
Chem. Asian J. 2015
[abstract]
DOI: 10.1002/asia.201403340
M.G. Delcey, L. Freitag, T.B. Pedersen, F. Aquilante, R. Lindh, and L. González
"Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex"
J. Chem. Phys. 2014, 140, 174103
[abstract]
DOI: 10.1063/1.4873349
L. Freitag, and L. González
"Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex"
Inorg. Chem. 2014, 53, 6415-6426
[abstract]
DOI: 10.1021/ic500283y
