IR problem - energy and interferogram problem?

12 July 2021 1 3K Report

hi!

I have the problem with infrared.

As I found the problem of Ir , I did monitoring energy and interferogram.

Surprisingly, energy value is zero and interferogram is like the picture I upload. I think this is the serious problem. Does anybody know why this is happened and what can I do for solving it?

Shoaeb Mohammad Syed

One reason might be the presence of impurity one suggestion I want to make you clean properly the sample cell and use fresh KBr and run the sample

Badges
Science topic

More Lee Jieun's questions See All

Gaussian spin multiplicity?

I have ion molecule, for example, H+ and Cl-. What is the multiplicity of this ion pair? What number I have to enter in the multiplicity section in job entry in Gaussian program? #gaussian...

21 December 2020 4,173 2 View

DFT calculation of ion? find transition state? Gaussian

Dear all, I have molecules with ethanol and ethyl chloroformate. I will simulate the reaction of two molecules that the oxygen atom of ethanol is approach to the carbon atom of ethyl...

01 January 1970 9,884 3 View

Gaussian03 has no response to the calculation?

I use gaussian 03 for simple calculation of one molecule. The route section I wrote is => "# B3LYP/6-31G(d) opt" , which is just simple keyword for calculating b3lyp with basis set of...

01 January 1970 6,239 1 View

What are the values needed for gabor filter's parameter for cifar10 data?

Hi, I implemented a code to gabor filter cifar10 data but the images after being filtered and stacked are not clear like the original images. I think the problem is in the way I am using the...

03 March 2021 6,317 1 View

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View

Energy minimization in LAMMPS using NVT ?

How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...

01 March 2021 2,294 3 View

Is it necessary to report effect size (ES) in statistics of biomedical research given that we already report p values routinely?

Pls share your thoughts

01 March 2021 7,330 4 View

Which reagent is best among 'Dimethylglyoxime" and "Dithiothreitol" for spectroscopic determination of Nickel ?

What I think is Dithiothreitol. As it is water-soluble and does not form a precipitate. But, the thing is it contains sulphur which is quite hazardous to aquatic animals.

01 March 2021 8,374 4 View

Why is the sum of the elements in a row in a Q matrix equal to zero?

When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?

28 February 2021 3,864 3 View

How to identify what type of fillers are in a polymer?

Hello everyone, I have some PHAs blended with fillers and nucleating agents, yet I don't know what kind of fillers or nucleating agents. The producer has shut down and there's no way to get in...

24 February 2021 1,356 8 View

Is it mandatory to specify Subjects Combinations in Generalized Linear Mixed Models (SPSS)?

Hi all, I have data with two levels: lets think of the classic example of students and schools. When running the analysis in SPSS and selecting the Random Effects, we can select (we can or we...

24 February 2021 7,379 4 View

Do you think there is cognitive oversaturation in the current pandemic? What impact can this have? And other manifestations?

Dear colleagues, Do you think there is cognitive oversaturation in the current pandemic? What impact can this have? And other manifestations? The question is mainly aimed at adolescents (pupils,...

23 February 2021 7,796 4 View

Is it possible that Cancer cells could survive in heparinized blood for 48 hours?

Hi everyone, I am just wondering if we incubated 200 microliter of whole blood with 50 microliter of cancer cells(1bout 5000cells) do you think that cancer would survive for 48 hours?

23 February 2021 3,840 3 View