[Data files] "Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations"
Document Type
Numeric Data
Description
Data sets to accompany publication:
Rahman, Md. Hafizur and Ryan, Michael D., "Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations" (2019). Chemistry Faculty Research and Publications. 967. https://epublications.marquette.edu/cgi/siteview.cgi/chem_fac/967
Publisher
e-Publications@Marquette
File Format
.xlsx, .fchk
Viewing Instructions
Text files (.fchk) can be read by Gaussian software.
Recommended Citation
Ryan, Michael D. and Rahman, Md. Hafizur, "[Data files] "Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations"" (2019). Chemistry Research Data. 1.
https://epublications.marquette.edu/chem_data/1
fe1-octaEtporphinone-no-m06.fchk (61822 kB)
fe2-octaEtporphinone-THF-no-m06l.fchk (78371 kB)
fe2-octaEtporphinone-no-m06l.fchk (61822 kB)
FeOEPoneNO data.xlsx (484 kB)