noting that i am using this software for the first time and i have just extract the absorption spectra of my small molecule using TD-DFT method. can anyone help me by giving the different steps.
Thank you.
It is not straight forward as absorption spectrum. Please have a look at the previous discussions
https://www.researchgate.net/post/How_can_we_calculate_the_emission_spectrum_of_a_molecule_using_Gaussian
https://www.researchgate.net/post/How_to_calculate_Theoretical_fluorescence_spectra_using_Gaussian
thank you for responding me.
the semi-circle (cole cole diagram) of my hybrid device (Photovoltaic application) in dark is more greater than the device under light, shunt resistance and the chemical capacitance decrease. how...
02 March 2017 5,685 0 View
I have been doing the m6A dot blot for a while with no improvement, I am extracting the RNA, and I can see the dots although the three biological replicas give a different reading on the memberan...
10 August 2024 8,539 5 View
How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?
09 August 2024 7,718 0 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
Palmitic acid presence in aqueous fraction
05 August 2024 8,624 4 View
Hi, i would like to simulate an absorption process in Aspen Plus. I want to use the NRTL model und would like to add some individual Henry coefficients. Is that possible and how?
05 August 2024 2,333 2 View
I work on MCF7 cell cell for anticaner purpose and I wa to do drug preperation the drug ( secondary metabolites extracted from Aspergillus) My question which solvent is better with these secodary...
03 August 2024 4,725 2 View
Why is TLC not a form of partition chromatography and paper chromatography not a form of absorption chromatography?
03 August 2024 7,035 3 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I am conducting a systematic review and meta analysis; as I am extracting data I realized there is a consort diagram that shows the number of patients from randomization till end of the study. So...
01 August 2024 9,993 3 View