i am working on uranium adsorption i need ECP60MWB-SEG basis set. so i could put it in GENECP besis set portion directly. i need it in the gaussian format so i could put it in gaussian easily.
I got comment on my FTIR data figure from a reviewer. The reviewer said "FTIR data in Figure should be repeated. there is no bassline." I made Y off set comparison graph of FTIR on OriginLab. Can...
03 August 2024 6,070 3 View
I want a model that is balanced with accuracy or speed, faster rcnn has high accuracy while yolo have fast speed. i am thinking to combine them to get a hybrid model to achieve both speed and accuracy
02 August 2024 3,104 0 View
Suggest one of them 1. Teflon-lined stainless steel autoclave: 2. Alumina (Al2O3) ceramic container
30 July 2024 7,326 1 View
The entropy measured of molecular graphs plays a crucial rule. The network structures in some cases are very lengthy calculations to handle. Some author avoid to construct table where as most...
30 July 2024 3,126 0 View
I've attempted to use this method to synthesize copper nanoparticles. Copper nanoparticles can be synthesised using a variety of precursor materials. CuSO4, distilled water, NaOH, and EDTA are...
28 July 2024 8,027 3 View
The first step is to analyze a 2D molecular graph and implement partitioning techniques to calculate the topological indices. Secondly impose statically tools to generate QSPR model, may or may...
24 July 2024 9,644 1 View
Hi everyone, I have extracted DNA from a biogas bioreactor using Qiagen kit and prep cDNA library then used this library as template to optimize primers for qPCR (taken from papers). Some of the...
23 July 2024 1,329 5 View
Hello!!! I want to implement the Swerling characteristics functions (CF) directly in MATLAB without using its Fourier integral pairs...the Swerling CFs are actually Laplace Transform of the signal...
23 July 2024 4,925 1 View
Most of the time it is observed that in many manuscripts there are several typo error of topological calculation errors of calculation and partition of edges what ever the type of partitioning it...
22 July 2024 811 0 View
Currently I need to calculate detection probabilities (PD) from RCS data. Beta distribution parameters for this RCS data are calculated and will be used in Swerling0 Equation. The idea is based on...
22 July 2024 2,851 0 View
I want to know more about Uranium ore deposits in world.
11 August 2024 6,720 0 View
Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...
09 August 2024 5,444 7 View
I want to know more about Uranium ore deposits.
07 August 2024 4,324 1 View
What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...
06 August 2024 1,896 1 View
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
I conducted an adsorption experiment of arsenic on soil in the presence of different doses of silicon as competing ions to see the effect of silicon on arsenic adsorption and desorption. I took 5...
03 August 2024 6,500 3 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
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 know the rate law. But for my photo-catalytic experiments, first 90min is adsorption (dark) and next 150min is under UV light (total 240min). How to remove the adsorption part for calculation?...
21 July 2024 8,807 6 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