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Questions related to Gaussian
We have LG10 beam only and we have to get HG(1,0).
10 October 2019 649 4 View
I am trying to find the transition state (TS) using Gaussian Package. But for my system the spin multiplicity of the reactant and product is different. So, What should be the spin multiplicity of...
10 October 2019 4,766 4 View
How can I identify the Energy of the CTS and the reorganization energy from the reduced EL and EQE curves? I mean if I have the data and curve, how can I apply the Marcus theory? Can anyone...
10 October 2019 2,398 1 View
Hi everyone who has gaussian program send it to me and thanks in advance [email protected]
10 October 2019 1,933 1 View
Anyone wants to ask something please go though - [email protected]
10 October 2019 9,524 4 View
As N increases, the peak of the output PDF moves to the right and the curve becomes more and more closer to Gaussian. The Rayleigh channel becomes a Gaussian one as N → ∞ .
10 October 2019 7,276 1 View
Hello, I use Lumerical/FDTD Solutions. I can create the array of structures on a line. This array will work as a lens to focus when excited to Gaussian source. However, I want this lens array to...
10 October 2019 4,439 2 View
I have a question on how peak fluence is calculated. For a Gaussian circular beam, the peak fluence is the total pulse energy divided by πω2/2, where ω is the Gaussian beam radius. Now my question...
10 October 2019 1,718 5 View
How can I Retrieve the original image 'A' from its noised version that obtained by adding Gaussian noise, with mean =0 and variance = 0.001, by using the following Matlab code: B =...
10 October 2019 8,670 5 View
I have carried out geometry optimizations and frequency calculations using Gaussian for a number of weak complexes. It has been found that different theories give significantly different minima....
10 October 2019 5,261 3 View
I want to do CASSCF calculations for transition metal dimers (eg. Mn2, Cr2, Cu2). Want to optimize and see the energy. Can anyone send me the input file for gaussian.
10 October 2019 8,789 1 View
I am calculating a value that is computed by dividing the derivative of the cumulative distribution function by the value of the distribution function at that point. It is of the form: 𝐽=𝐹′(𝑥) /...
07 October 2019 8,588 3 View
How we can calculate the pH effect in gaussian?
05 October 2019 5,017 3 View
have a research project on the degradation of different azo dyes This study will be carried out experimentally and theoretically the difficulties that meet for the theoretical part (gaussian...
03 October 2019 745 1 View
Because i'm new to the Gaussian user. Thank you.
09 September 2019 9,295 9 View
Is there any subroutine or functin with the help of which I can incorporate the one center basis set for any molecule to generate the wavefunction? Also how to generate the wavefunction from th...
09 September 2019 8,286 1 View
I am dealing with an AC pulsed signal of 100 mV and 1 KHz frequency. I need to shift that pulse train up to 2 ms. I have already used RC circuit but in that case if I added a phase then the shape...
09 September 2019 4,105 10 View
a computational study of dies alder reaction from gauss view program.
09 September 2019 2,002 2 View
For example, in phenol, how to calculate the bond dissociation enthalpy of each bond using gaussian? What are steps?
09 September 2019 5,225 3 View
We are trying to deconvolute a peak which is formed by two asymmetric peaks, as they do not fit well with gaussian nor lorentzian fitting methods, typical deconvolution by origin it is not...
09 September 2019 9,792 3 View
if one want to generate random numbers from a discrete distribution, will it be from the discrete or continuous uniform distribution? I find only the continuous uniform distribution in MathCad so...
04 September 2019 4,552 2 View
When the drinking water is treated in a water treatment plant, it is dosed with chlorine in order to kill bacteria and keep the water safe in the distribution network. This water is then supplied...
21 August 2019 7,753 3 View
I am trying to perform Ordinary Kriging in QGIS. In QGIS documentation, they have mentioned selection of variogram model is possible but in the software such an option cannot be seen. I am using...
08 August 2019 5,402 5 View
I am trying to find the pi-pi interaction between two phenol rings and am confused on how to go about it. I tried optimizing the geometries with 0° overlap using m062x method, but I obtained...
08 August 2019 7,097 4 View