Anyone who can rapidly perform the DFT analysis of seven metalloporphyrins will be given authorship in the resulting article please contact me.
Dear Muhammad Yaseen ,
What kind of analysis based on the excited-states of the porphyrins would you like to decipher?
I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...
03 March 2021 4,116 4 View
Actually, I am running cfd simulation for a heat exchanger which has two fluids one hot and other one is cold fluid. there is a solid domain between them, which I removed and instead I have used...
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I am simulating Heat Exchanger. I have tried and tested all the methods to resolve this issue from the internet like refining mesh, improving skewness and orthogonal quality ,extending outlet to...
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Should I mesh the solid domain ? or should I use wall thickness? or Shell conduction? for Heat Transfer between two fluids of a Heat Exchanger. what is recommended?
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Is the period to autoclave not enough? The inoculation in a hood and flame and UV and alcohol.
27 February 2021 9,356 3 View
hello. i am junior researcher. I received a comment from a reviewer that he could not find NMR data in my submitted paper. I had included the NMR graph with explanation and formula to calculate...
27 February 2021 734 4 View
I have a sample of treated water sample & asked to obtain ammonia conc. in sample using a machine with 5-25 ppm detection range. However, upon testing with different dilution factors, all...
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26 February 2021 8,183 3 View
dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...
03 March 2021 6,994 5 View
Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...
02 March 2021 2,431 3 View
I do need the Matlab code of Fractal Discrete Cosine Transform (FDCT). Can anyone who has already implement this code, help me with the implementation of this transform?
24 February 2021 5,602 2 View
Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...
17 February 2021 9,082 3 View
Dear all I have a 2-dimensional mode shape of one concrete beam and I put the data of mode shape in a matrix (69*3) which the first column in the matrix is x coordination of my beam and the second...
10 February 2021 3,301 3 View
DFT - gaussviev - gaussian09W - HOMO - LUMO
08 February 2021 6,012 5 View
During AM process, progressively activation of elements can predict the temperature/crystallinity history, including surroundings heat losses and than this data could be used to determine the...
06 February 2021 4,686 1 View
If we analyze the extract of two plants from the same species (for example) and there are very similarities between the two IR spectra except for the intensity of one peak at the same wavenumber....
05 February 2021 2,630 5 View
I am looking forward to remove excess of salt form my metal based porphyrin and trying DSC-18 columns for the same, can someone suggest me how how can one decide the polarity of the solvent to...
01 February 2021 9,076 1 View
I was wondering: in common DFT (or Hartree-Fock) algorithms/codes, and in particular in solving the Roothan equation, what is the most computationally expensive part: 1- evaluate all the terms of...
01 February 2021 396 2 View