Dear Wien2k users, could you please suggest me the procedure for optimization of monoclinic structures using option [7] in Wien2k or any other method for monoclinic structure optimization thanks in advance..
Plain Concrete subjected to cyclic loading get reduction in its stiffness and strength with the every cycle of loading. What is ratio of energy enclosed in one hysteresis loop to adjacent...
10 February 2021 1,051 1 View
Please, how to calculate the number of model parameters of the random forest model to determine the Akaike Information Criterion (AIC) using this following expression: AIC = n * log(MSE) + 2 *...
27 January 2021 816 6 View
I have my synopsis presentation and i have to provide details about 2-3 datasets that I can use in my research. Topic is crops Yield estimation using satellite images. suggest me what I can write?...
13 January 2021 1,675 3 View
I am doing a photocatalytic performance evaluation by RhB dye degradation. I am facing a problem which is: After achieving the absorption -desorption equilibrium, I checked the concentration and...
04 December 2020 3,922 20 View
Dear all, Have any one performed edu assay by spectrophotometric means ? I'm looking for a kit for that purpose. I have Chinese kit for this purpose, I followed their protocol but the result is...
24 November 2020 1,766 3 View
While I was discussing my nitrogen adsorption isotherms in the context of micropore, mesopores, total pore volume for activated carbon samples prepared from waste materials, I received a review...
13 November 2020 1,971 3 View
I want to extract dissimilarity information of two images layout. Wanna check text, button, and text box alignment, text overlapping, and more other layouts difference. how we do that? any tool,...
25 October 2020 7,190 7 View
04 October 2020 1,552 4 View
I have used Lorke's method of determining LD50 of my test drug. The lowest dose according to this method is 10mg/kg and my mice died at this dose within the 30 minutes of IP injection. Does that...
22 September 2020 9,959 3 View
Hi everyone, I'm doing MTT assay to test the cytotoxicity of 4 candidates on the BT-474 breast cancer cell line which rarely becomes confluent. started with 3K/well, 5K/well, 6.5K/well left the...
12 September 2020 3,034 8 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
The role of climate change influencing the human behavior as well as economics interest
01 June 2021 0 0 View