What basis set to use?
Seriously, why are the buttons on the left? (Photo: Timur Emek/Getty Images)If you’ve ever compared a woman’s button-up shirt to a man’s, you’ve probably noticed that the buttons are on the...
05 June 2016 2,676 9 View
During the past three months I have noticed that some research gate members asked questions, however, they never commented on their peers answers, & others asking questions that they know...
01 February 2016 5,516 20 View
We have designed and synthesized a number of novel amoxicillin and cephalexin prodrugs and looking for somebody to carry out the in vivo studies for determining their pharmacokinetics parameters.
10 November 2015 8,403 6 View
We have designed and synthesized a number of prodrugs for commonly used drugs and looking for a place to conduct toxicity tests for these novel compounds.
10 November 2015 1,191 4 View
Please, write all the procedure steps.
10 November 2015 9,494 11 View
Please, specify, column, flow rate, mobile phase and wavelength.
10 November 2015 1,786 2 View
What basis set to use if the size of the organic cation is 50-65 atoms including hydrogens?
10 November 2015 3,349 3 View
Please, specify column, flow rate, mobile phase and wavelength.
10 November 2015 6,986 2 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 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
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
07 August 2024 2,598 1 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.
07 August 2024 8,782 3 View
If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...
03 August 2024 4,787 2 View
If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...
03 August 2024 3,927 2 View
I used humic acid at 0.044 g/kg soil in my pot experiment. But finally, I have to recommend kg/ha. Each pot's soil weight was 11 kg. What is the solution?
02 August 2024 7,186 6 View
