optical properties and thermal properties of a perovskite materials
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
When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...
21 February 2021 3,198 2 View
Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...
17 February 2021 9,082 3 View
Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...
15 February 2021 8,264 3 View
Support vector machine
09 February 2021 6,405 3 View
DFT - gaussviev - gaussian09W - HOMO - LUMO
08 February 2021 6,012 5 View
So I know some metal-insulators (ex VO2) have thermochromic infrared-reflective properties, but most of these are insulators at low temperatures and conductive at high temperatures. Some...
07 February 2021 1,770 3 View
I am trying to find methods for theoretical calculation of enthalpy of formation of Polymers. till now I have found the oligomeric method (Gaussian) which uses the extrapolation of results from...
05 February 2021 9,707 4 View
Dear all, I am trying to optimize a bimetallic complex using # opt=tight b3lyp/lanl2dz scf=qc geom=connectivity. The program is running for around 5 days but the size of the .chk remains same...
05 February 2021 8,721 3 View
I am doing optimization of a phytochemical but when i submitted the file for calculations it shows error 2070. Can anyone please tell me what does it mean? and what should i do to solve it. I have...
30 January 2021 7,932 1 View
In epidemiology, earthquakes, tokamak disruptions etc., there is possibility of approximations with the sequence of Gaussians and with the appropriate risks ( see my papers in Journal of Fusion...
26 January 2021 5,411 5 View
