If we use the medium modified Cornell type potential which has
both the Coulombic and linear terms which is three dimensional.
What is the main advantage of solving the Schrödinger equation in N dimensions? Can anyone justify this?
We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...
01 March 2021 1,899 2 View
Is there any reason for decrease in fluorescence emission intensity of HSA,BSA when increase the concentration ?
28 February 2021 3,653 4 View
Hello, As part of simulation of gases mixture and water, I need to calculate viscosity of the fluid components and I am using relationships proposed by Chung et al. (1988). The irony is while I...
25 February 2021 8,053 5 View
I used EdgeR to get the list of DEGs (differentially expressed genes) from my liver RNA-seq experiment. I have done the gene overrepresentation and GSEA based pathway analysis. I am currently...
23 February 2021 8,969 1 View
I am studing the mircogel at oil-water interface. I want to know the adsorb amount of microgel at the oil water interface. How we can determine this amount?. I will highly appreciate your...
19 February 2021 2,787 1 View
Physiologically in cow, oestrous heat again goes on the peak after 2 months but locally this is not observed and AI is after two months but done after at least 6 months.
17 February 2021 685 4 View
I am trying to calculate the rdf of water molecules present inside the Carbon nanotube. I tried to do the indexing first using gromacs tool gmx selection. But when it comes to calculating rdf, I...
17 February 2021 1,066 3 View
The solar photovoltaic (PV) power plant uses commercial (non-concentrated) PV modules which are quite simple in design and reliable. They can work on fixed orientation and don't need the moving...
16 February 2021 3,796 9 View
I am working on a landslide model...i need an optical sensor to determine the amount of pore pressure and other values..i am thinking of using a microbend sensor. Can anyone please provide me with...
11 February 2021 5,911 2 View
Dear All, I am working on electric motor design in Ansys Maxwell. I have written optimization code in MATLAB. I want to run this code in ANSYS MAXWELL and generate FEA results. Does anyone know...
10 February 2021 1,279 1 View
Hi, We are having issues using Desmond on our workstation. Simulations run fine on one of our gpus ("Gpu0") but crash consistently on the other gpu ("gpu1" - which is also set up as the display...
01 February 2021 5,866 3 View
The circumstance and the life route forced me to stay away from quantum mechanics for more than twenty years. Now, I do not know my ABC in quantum mechanics. A friend with just a high school level...
10 December 2020 9,472 2 View
Hello, I've been investigating a bunch of monomers which spontaneously react in water to form a polymer. I would like to know how to calculate the thermodynamics of such a system. On the surface,...
18 November 2020 5,595 3 View
I want to simulate a niosome bilayer with schrodinger software (molecular dynamics), but first I have to design the proper bilayer. Does anyone know a software or simulator to design a bilayer...
05 May 2020 1,144 10 View
I have a question concerning the numerical models that are frequently used for a scanning tunneling microscope in which three solutions of the Schrodinger equation using the potentials for the...
27 March 2020 4,677 2 View
Consider a system of two particles. The system was prepared (e.g., by some prior measurement) to have zero total spin. Another measurement is made, either immediately after the preparation or at a...
21 February 2020 5,640 4 View
Hi I want to model a receptor protein (Vasopressin 1b) with uniprot id P47901. The third IC loop needs to be handled with more precautions due its long length. I can assure you that the credit...
21 December 2019 4,100 8 View
I'm trying to do energy minimization on the system, but I'm encountering error message: Cannot start job with dummy GPU host set. Please set valid CPU or GPU host.
11 December 2019 617 3 View
It is well-known that the wavefunction and its first derivative must continuous at boundaries between regions having different values for the static potential, and reasons for this have been...
11 December 2019 2,450 3 View
11 December 2019 9,868 4 View