Chantal Daniel
Contact
Dr. Chantal Daniel
Univ. Strasbourg
Institute of Chemistry, Laboratoire de chimie Quantique
1 Rue Blaise Pascal BP 296/R8
F-67008 Strasbourg
France
website,
mail
Expertise
Metals:
Fe,
Cr,
Mn,
Ni,
Co,
Cu,
Zn,
Ru,
Pd,
Re, Pt, Ir, Os
Techniques: CASSCF/MS-CASPT2; MRCI; EOM-CCSD ; DFT/TD-DFT
Resources: ADF; MOLCAS, MOLPRO; DALTON ; ACESII
Recent publications
A. Chantzis, T. Very, C. Daniel, A. Monari, and X. Assfeld
"Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes"
Chem. Phys. Lett. 2013, 578, 133-137
[abstract]
DOI: 10.1016/j.cplett.2013.05.068
C. Gourlaouen, and C. Daniel
"Spin–orbit effects in square-planar Pt(ii ) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy"
Dalton Trans. 2014, 43, 17806-17819
[abstract]
DOI: 10.1039/C4DT01822B
T. Véry, D. Ambrosek, M. Otsuka, C. Gourlaouen, X. Assfeld, A. Monari, and C. Daniel
"Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory"
Chem. Eur. J. 2014, 20, 12901-12909
[abstract]
DOI: 10.1002/chem.201402963
J. Eng, C. Gourlaouen, E. Gindensperger, and C. Daniel
"Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes"
Acc. Chem. Res. 2015, 48, 809-817
[abstract]
DOI: 10.1021/ar500369r
