Département de Chimie Moléculaire

output

20072026

most citedProgress in Time-Dependent Density-Functional Theory

970 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

M. E. Casida11 · h 33
Abraham Ponra5 · h 2
A. J. Etindele4 · h 5
A. Darghouth3 · h 6
B. Natarajan3 · h 5
A. Ipatov2 · h 9
Alexander Humeniuk2 · h 14
Carolyne Bakasa2 · h 1
Denis Magero2 · h 3
G. V. Dubacheva2 · h 15
Mark E Casida2 · h 1
Miquel Huix-rotllant2 · h 22

collaborating institutions

Centre National de la Recherche ScientifiqueFR17 papers
Institut de Chimie Moléculaire de GrenobleFR14 papers
Université Grenoble AlpesFR14 papers
Université de Yaoundé ICM5 papers
Université Joseph FourierFR5 papers
University of MarouaCM5 papers
Technical University of KenyaKE3 papers
CEA GrenobleFR2 papers
Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR2 papers
Institut de Planétologie et d'Astrophysique de GrenobleFR2 papers
Institut Nanosciences et CryogénieFR2 papers
Johns Hopkins UniversityUS2 papers

Showing 2017Show all

1 paper · 1 filter

physics.chem-ph2017★ 11 cited

Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes

Denis Magero, Mark E. Casida, George Amolo +2

Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ra…