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Questions related to Gaussian
how the output power or efficiency of OPO depends upon the modulation frequency/modulation depth or pulse width applied to electro-optic modulator?
31 May 2023 8,309 2 View
pectin, amide pectin
21 May 2023 3,338 2 View
I wrote my innitail proposal on the Data quality and data cleaning in big data but I will like to incorporate machine learning in it. I would appreciate your suggestions on a suitable topics that...
08 February 2023 9,123 1 View
I want to create a wireless ad-hoc network in NetSim where each device has a fixed radio range, say 500m. All receivers within this 500m of a transmitter should be able to decode the signal while...
16 January 2023 7,605 2 View
hi i found an article that describe predictors as Unadjusted Beta (SE), is it same as odd ratio? could we calculate sample size base on Unadjusted Beta (SE)? thanks a lot
08 January 2023 6,528 1 View
La pandémie de COVID-19 a changé la face du monde et transformé nos vies à jamais. La technologie n'a pas failli face à cette transformation. Heureusement La pandémie a stimulé l'innovation...
24 December 2022 457 2 View
Dear Colleagues, which software is in your experience most suitable for analysing semi-structured interviews? Can you give examples of articles where such data were analysed and results...
15 December 2022 9,678 4 View
I need to know the formula of the Gaussian Beam used by the software CST studio, so that I can identify the problem. Thank you in advance.
29 September 2022 3,353 0 View
I am trying to simulate a butt-welding for the fusion of two HDPE pipes. I have modeled the pipes in the ABAQUS. I have also created a heat transfer step in which the heat from the heating plate...
21 September 2022 7,974 0 View
How to draw a scaled potential energy surface? Powerpoint does not give a proper one. I know about 2 programmes which can do that - (i) PES Viewer and (ii) Mecha SVG. Does anyone know any better...
31 August 2022 8,578 0 View
Hello everyone. What are the free available forcefield fitting softwares/tools, which go along well with ORCA? I have done the quantum level calculations with Orca, now I need to fit the...
27 July 2022 2,181 3 View
Can it be published in Physical Chemistry Chemical Physics completely free of charge?
11 July 2022 1,932 8 View
Dear esteemed Researchers and scholars I am working on a project on thermo-electric properties of SnSb. which occupation should i use for scf, nscf, dos, bands calculations? Suppose if smearing is...
16 February 2022 7,602 2 View
Hi, I am running some transition state calculations in Gaussian on a moderate system (~50 atoms including 1 d-shell metal). For this, my method includes: #p opt=(calcall,ts,noeigen)...
08 February 2022 2,944 5 View
Hi all. I'm trying to calculate a relaxed potential energy surface using Gaussian 16 software. However, since I cannot approach the PC installed Gaussview for a while, I need different software to...
03 February 2022 4,352 3 View
I'd like to create a plume dispersion of Toluene-2,4-diisocyanate pollutant from a point source. What is the maximum distance that a pollutant of Toluene-2,4-diisocyanate pollutant with an...
19 January 2022 385 4 View
Dear colleagues, Do you know any software (free would be the best!) to plot first-order simulated NMR spectra (including chemical shift, coupling constants, splitting pattern and...
19 January 2022 7,707 2 View
I was doing the calculation of the excited state of the molecule in gaussian but each time after some intermediate geometries my link die. I am unable to get the excited state geometry of the...
17 January 2022 6,407 1 View
I am working on the application of Gaussian mixture model (having two variables) on monitoring the sludge profiles of a secondary settler of a waste water treatment plant such that the sludge...
13 January 2022 172 9 View
Gaussian 16 related question.
04 January 2022 7,711 6 View
I may recall that,possibly they are orthogonal with respect to a Gaussian.,What other weights,if any
04 January 2022 2,696 2 View
Why can't we delete questions here?
02 January 2022 3,133 4 View
i restarted an opt +Freq job with the keywords opt=restart, pop=nboread... but the output file do not contain any NBO section as it should ( i an need the natural population analysis) ! can i get...
27 December 2021 2,125 4 View
negative frequency value is approx -2.56 cm-1.
26 December 2021 9,899 6 View