What is the dielectric constant value of alkaline solvent should be taken to investigate the dft first principle calculations using NWChem (COSMO function) or Gaussian?
Follow this links.
https://digitalcommons.lsu.edu/cgi/viewcontent.cgi?article=8909&context=gradschool_disstheses
Article Dielectric Constants of Some Organic Solvent-water Mixtures ...
You may look for the "Minnesota Solvent Descriptor Database" if the values are available for your solvent.
Mrs/Miss.,
In addition you should account for the effect of the ionic strength.
If the size obtained from DLS is between 200-300 nm, then should it be called nanoparticle or mesoparticle?
31 December 2018 6,959 16 View
How to calculate bond strength using NWChem; like Wiberg bond indices are used to calculate bond strengths in Gaussian.
01 February 2018 8,921 5 View
By using the SQCE (superposition of quantum confinement) model to calculate the thickness of shell for CdSe/CdS core/shell nanoparticles, the value obtained is 1.18 Angstrom (0.118 nm). Is this...
10 November 2017 6,604 0 View
How to calculate 1) Amount of drug released and 2) Cumulative percentage release (%). The amount of drug conjugated particles in dialysis bag is 5 ml, Bath volume is 150 ml and sample withdrawn is...
10 November 2016 7,598 11 View
Some journal wrote that the nanoparticles were filtered using filter paper or filter membrane after synthesis of nanoparticles. Can we use the nylon membrane directly for nanoparticles...
07 August 2016 9,599 6 View
How to calculate the molarity of 80 micro litre thioglycolic acid in 10 ml Water? Specifications of TGA: Assay 80.0% Wt. per ml at 20oC = 1.270-1.274 g
05 June 2016 5,736 3 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 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
Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...
03 March 2021 8,796 3 View
Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.
03 March 2021 7,174 5 View
I am on the lookout for the Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence. Does anyone know where I can find it? Thank you in advance
03 March 2021 3,568 1 View
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View