How to get FTIR spectrum from IR spectrum calculating using Gaussian code?

More Z. Charifi's questions See All

What are the advantages and limitations of online teaching mode of HEIs; and how we can make a balance between them?

With the increase in use of online modalities during the current situation, it is necessary to assess the advantages and limitations with regards to teaching and learning from various...

04 February 2021 4,558 8 View

Is it possible to do image processing using Arduino/NodeMCU? If so, which camera module would be better?

We have already completed a project where we have done image processing using raspberry pi. Now we want to do the project using Arduino / NodeMCU.

28 September 2020 1,486 3 View

Are public transport and airplanes really the biggest means of transmitting the COVID 19 virus?

Although life has gradually returned to normal, many people are still concerned about the use of public transportation and aircraft. Are public transport and airplanes really the biggest means of...

02 June 2020 2,714 65 View

Do you believe in spontaneous recovery in the topic of Covid 19 virus?

Do you believe in spontaneous recovery, by reviewing previous viruses such as the Saris virus, the Middle East Syndrome virus and the Ebola virus, we find that these viruses have reached their...

01 June 2020 3,275 65 View

How can these challenges be faced in light of the current crisis?

What are the biggest and most important challenges of switching from traditional to electronic? How can these challenges be faced in light of the current crisis? The issue of social separation,...

10 May 2020 3,349 38 View

What are the disadvantages of using nanomaterials in water and wastewater treatment?

02 March 2020 4,414 15 View

Rice suspension-cultured cells suitable for transformation with Agrobacterium?

I am wondering whether anyone tired Agrobacterium-mediated transformation with rice suspension-cultured cells. I came across many research papers describing Agrobacterium-mediated transformation...

24 January 2020 5,988 3 View

In a forest, what is the difference between a ground bird species and an undergrowth bird species?

I would be grateful if you could help me.

04 February 2019 7,634 3 View

Is it possible to make an independent research project on ESO-VLTI telescope?

Where can I find detailed information how to conduct a research project on the VLTI instrument? In general, is it possible to purchase time for observation? And if yes, what are concrete procedures?

09 July 2018 6,670 5 View

Formulate a paper from research Content & Literature ?

If you are working on a research and you write research Content & Literature and each time you are reading your work on this research you see different type of papers could formulate or...

27 April 2018 4,467 8 View

Is it possible to have two luminescence bands of the same peak position but with different intensities in single spectrum??

Hi! If it is possible to have two luminescence bands of the same peak position in a spectrum, what is the reason behind formation of two separate bands instead of one? This phenomenon is related...

26 February 2021 4,963 5 View

How can I find a Raman spectrum wavenumber corresponding to what compound?

I have several Raman spectra with very distinct peaks at certain wavenumbers, such as 277, 359, 466, 583, 623, 686, and 795cm-1. How can I identify them to what compound(s)? The RRUFF and others...

24 February 2021 363 3 View

What are difference between laser diodes, simple light emitting diodes and power light emitting diodes when operated in the visible spectrum ?

I want to illuminate a scene (small space) using LED to capture photographs or videos of some tiny objects inside the space. But am not sure if I should use a Laser LED, or simple LED or power...

22 February 2021 4,240 4 View

What low-cut filter (high Pass frequency) to be used for response spectrum (Tripartite plots) ?

What low-cut filter (high Pass frequency) to be used for the response spectrum (Tripartite plots)? I am currently working on differentiating between hard/soft site responses in Indo-Gangetic...

21 February 2021 9,273 2 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Interpretation of a fluorescence Emission spectrum ?

Hello, i work with a spectrometer which only render the fluorescence emission spectrum. Until now i just found how to interpret an exitation- and emission spectrum together to generate deeper...

20 February 2021 1,291 3 View

How to calculate the Atomic Polar Tensor using DFT ?

Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...

17 February 2021 9,082 3 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

How to detect uv vis spectrum of nanoparticle under 300nm?

I try to make the indium nanoparticle and check the uv vis spectrum. I heard that In nanoparticle has surface plasmon resonance peak at 200~300nm. But most of solvent has absorption peak under...

14 February 2021 6,950 15 View

DMAE (deanol bitartrate)- dimethylaminoethanol bitartrate?

Hello all... I m looking for a method for assay DMAE (deanol bitartrate)- dimethylaminoethanol bitartrate in aqueous samples (cosmetic product) using GC- MS mass spectrum HP- 5 ms U.I 0.25...

13 February 2021 7,629 3 View

Nayim Sepay

You can optimize your structure with optimization+ frequenty to get IR.. It can be seen in the results tab of the output file..

Massimiliano Arca

The question is unclear. IR and FT-IR differ in the instrumental architecture and treatment (Fourier Transform) of collected IR signals, but the number of infrared peaks, their energy and relative instensity are the same, although FT allows for a better resolution in a shorter time.

If the question regards visualization there are a number of commercial software suites that can graphically represent IR spectra, including GaussView, Molden, Chemissian and many others. In past years, we also published a programme, PyFreq, for this purpose, including normalizing and scaling tools, as well as the possibility to overlap experimental and calculated spectra. PyFreq was published here: Article Reactivity of Fluoro-Substituted Bis(thiocarbonyl) Donors wi...

Aqeel Mohsin Ali

You can use Gaussview and try frequency calculations.

Z. Charifi

Thank you for the rapid answer. I try to clarify my question. I calculate the IR spectra using the Gaussian software. And I want to get the FTIR spectra. Is there any way to do that

Thank again

Morteza Jamshidi

opt=freq