Is it possible to performing a scan calculation using two step sizes with gaussian09, for example in first step we use 1 Ångström, after determining best range, we use 0.1 Ångström without re-preparing the input file.
- How do I specify the position of a radical in the furane molecule (alpha C or beta C) in the Gaussian 09 input file? - When we calculate the bond dissociation enthalpy (deltaH) of the bicycle...
14 October 2023 8,993 5 View
I'm trying to use the sources of "Numerical Recipes" related to Fortran 90, but I can't figure out which libraries to compile before using these "Recipes".
23 February 2023 5,010 1 View
Dear RG Researchers, We know that in practice and in the case the estimation of compressive strength of existing RC structures is needed, the reliable manner is drilling cores. However, many...
25 July 2021 2,580 4 View
Dear RG Researchers, When we apply the null hyposthesis to test the relationship, for two data set , we compare the F-statistic with the critical value (P-value) and upon this comparison we...
11 February 2021 1,889 10 View
Dear Researchers, I am a researcher and I am working on a Xenon accelerated aging of a polymer and I need the ASTM G 155 standard. I will be grateful if someone can share it with me. Best...
28 December 2020 709 2 View
Dear Researchers, I would like to know the logical margin between the strain of a polymer in the tensile test determined through the traverse (the value from the machine itself) or using a video...
12 December 2020 3,804 4 View
My use case is I have a dataset consisting of stock returns of S&P 500 Index stocks over a period and I also have the Index returns over the same period. The problem is a regression problem...
02 October 2020 1,525 3 View
I have a set of Sharpe Ratios collected from various models and I would like to check whether these are statistically significantly different from each other. Have seen that many research papers...
17 March 2020 2,411 4 View
First, how to isolate DNA from effective microorganisms? is it the more to genomic DNA isolation or metagenomic DNA isolation protocol? Second, is the Bacterial 16s rRNA Amplicon Sequencing with...
23 September 2019 8,588 8 View
For my recombinant enzymes, I am not able to see any peak in the elution side of the FPLC results using his-tag column, while a peak is present before elution. is anyone able to interpret what...
19 August 2018 7,136 2 View
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...
07 August 2024 9,934 3 View
Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
07 August 2024 6,066 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,613 1 View
Hi everyone I need a file with a dirty and clean potato image
04 August 2024 7,199 4 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...
30 July 2024 5,206 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,607 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View