Hello friends,
I would like to calculate the pore size in porous catalyst such as MOF or ZIF using DFT, MD or MC simulations. Could someone suggest me the method and procedure used for calculating this.
Thank you,
If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis
02 March 2021 7,670 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
what is the reason film thickness increased when increased doping concentrations give some reasons The measured film thickness is 156, 282, 394, 548 and 681 nm for 0, 1.5, 2.5, 3.5, and 4.5 wt....
17 February 2021 8,987 5 View
please give any suggestion?
04 February 2021 4,837 5 View
02 February 2021 9,790 2 View
We have carried out high-pressure Raman characterization on some of our samples. After fitting, I have observed a change in D-peak position with increasing pressure. What does this change...
20 January 2021 853 3 View
In addition to genetic and environmental factors, fruit size is also influenced by crop load, rootstock, orchard planting system/tree training system, pollination, water and nutrient management,...
13 January 2021 9,309 4 View
In my lab,we are trying to construct a control plasmid. So we have to remove the insert gene which has two restriction ends:one is XhoI and other one is Hind III.So after double digestion we want...
01 January 2021 3,271 4 View
We are doing the prediction of soil nutrients using spectral information by applying machine learning models. More than 300 soil samples were used from one district for analysis. We got the...
21 December 2020 9,663 3 View
I have to compare yield parameters of a tree crop grown under three irrigation methods. But these systems are already established separately in three adjacent fields. Since I can not follow a RCBD...
21 December 2020 3,065 5 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
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 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
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