Please anyone suggest me the proper comment related to implementation of Alternating / rotating electric field like E=E0 Sin wt in Gaussian 09 program.
Parts of East and Southern Africa, in particular, have experienced severe droughts, leading to water shortages, crop failures, and food insecurity. On the other hand, intense rainfall events have...
23 October 2023 2,399 2 View
I would like to predict the Guanine quadruplet repeats in bacterial genome. However, available tools predict different outputs, leading to conflicting results. Could someone please explain the...
11 September 2023 2,223 0 View
Hello Everyone I am trying to perform a solvent phase calculation using n-octanol in Gaussian CPCM model. In Gaussian website I find the following information: SPECIFYING THE SOLVENT The solvent...
26 June 2023 2,722 0 View
I am performing a GWAS Analysis, while comparing my pre-imputation and post-imputation data, I observed that the most significant genetic variant (p
27 September 2022 2,438 2 View
How can i trap acetaldehyde in reaction medium as intermediate?
04 August 2022 361 1 View
Can anyone help me understanding the calculation of photovoltaic properties from DFT calculation? After going through several research paper I am not able to understand how to get the data from...
02 October 2021 6,555 1 View
I have two crystal structure of metal complexes one is cis and other is trans. Cis isomer is predominantly formed in room temperature over trans isomer.But when i reflux cis isomer in ethanol its...
18 September 2021 2,356 1 View
I am trying to get the Generalized Mullikan-Hush Electronic Coupling value for electron transfer reactions. I have found it possible to do that using Q-Chem software. However, I am curious to know...
14 July 2021 3,583 3 View
I have calculated BOMD study in Gaussian 09 using command BOMD/ADMP. Now, how can I analyze the data coming from Gaussian out file?
03 July 2021 4,650 3 View
How to calculate aerosol optical depth from from MODIS or satellite ?
13 May 2020 8,733 0 View
I tried four trials of the same Copper Phosphides sample in Alkaline medium ( 0.5M KOH) with Hg/HgO reference electrode and Pt as counter electrode. I used 0.001 V/s scan rate for first three...
10 August 2024 3,629 1 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
I am not able to get good literature and the physics behind how first these grains and grain boundaries arises out of no where when we make a pellet to study its dielectric properties and then how...
07 August 2024 5,177 3 View
Why is the molecule's orientation with an electric field affect polarizability? Electrons are diffuse enough to be independent with respect to orientation and effect of electric field on...
03 August 2024 7,843 1 View
If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...
03 August 2024 3,927 2 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...
28 July 2024 2,979 1 View
Dear Research Community I would like to invite Elctrical Engineering specialists to solve problems related to Ternary Algebra or tripple sets I have an algorithm that places in relation three...
28 July 2024 5,771 2 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View