D1 diagnostic test command in Gaussian 09 program? any help please
Hello, Everyone! I need a Python or Matlab code that calculates the cyclic and calendric aging of LFP batteries. There are numerous semi-empirical aging models for lithium-ion batteries, but I...
16 June 2024 1,861 2 View
Dear Colleagues, I working on evaluation of choline esterase inhibitors activity,the problem that I don't have the enzyme. so i am trying to extract it from red blood cells of mice , rats ,rabbits...
30 April 2024 7,578 1 View
Hello everyone , for a layered quantum well, does the addition of layers in the quantum well increases its depth.
26 March 2024 3,757 1 View
Hello is there any advanced estimation technique to conduct multiple regression in the context of small sample size
09 March 2024 8,449 3 View
Hi, what is the endnote style for the journal "composite interfaces" published by Taylor and Francis? Thanks
13 December 2023 6,184 2 View
trying to prepare stable nano capsules by polycaprolactone so I need to observe the daily by simple way >
02 December 2023 9,238 3 View
Dear Friends, I am searching for an accurate and reliable software tool that can detect whether a given text has been generated by an AI or written by a human. If anyone knows of such tools,...
30 November 2023 467 6 View
I want to measure LC resonator's voltage Wirelessly
19 November 2023 4,077 3 View
Hi XRD and TEM experts It doesn't make sense to me but I still wanted to see if it's possible to have XRD crystallite size bigger than TEM particle diameter. I'm talking about high BET oxide...
31 October 2023 1,767 4 View
How to search in Google scholar with code? I couldn’t figure out how to search in Google scholar with code. For example, I wanted an equivalent search for the following string: ( TITLE-ABS-KEY (...
20 October 2023 4,316 2 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 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
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
I am reaching out to seek your valuable advice and recommendations regarding the best software tools to use for this research. Specifically, I am looking for software with a user-friendly...
22 July 2024 3,794 1 View
Hey all, I need help testing for multivariate outliers using STATA for my master thesis. The literature recommends the Minimum Covariance Determinant (MCD) (Verardi & Dehon, 2010). I found the...
22 July 2024 8,821 2 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
I am working on a project proposal (DFG project in Germany). I have the problem that I want to calculate how much funds I have to request for my test subjects (e.g., for qualitative interview of...
18 July 2024 1,690 0 View
