TY  - GEN
AU  - Sandala,Gregory M
AU  - Hopmann,Kathrin H
AU  - Ghosh,Abhik
AU  - Noodleman,Louis
TI  - Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential
SN  - 1549-9626
PY  - 2011///
PB  - Journal of chemical theory and computation
N1  - Publication Type: Journal Article
UR  - https://doi.org/10.1021/ct200187d
ER  -