Does anyone know of any report on Al and Cu clusters of 13 atoms icosahedron?

09 February 2015 1 7K Report

I need to know the spin multiplicity, binding energy, ionization potential, electron affinity homo-lumo gap and optical absorption in eV/Hz of 13 atoms Al and Cu clusters of icosaheron symmetry. Either theoretical or experimental result will do my job.

It would be great if anybody please can give me any reference for these informations. Best Regards

Shaikat Debnath

Dear Dr. Vladimir S. Myasnichenko

Thank you very much for your kind help. It is so helpful for me

Best Regards

Badges
Science topic

More Shaikat Debnath's questions See All

Why there are two peaks while using the mie plot of Silver nanoparticle?

Hi, I am trying to learn the theoretical modelling of silver nanoparticle using the Mie scattering theory. After that, I discovered a software named Mieplot developed by Philip Laven, where it...

25 February 2021 7,493 6 View

Lift off problem with Indium/Gold deposition?

Hi, I'm doing 5/40nm In/Au e-beam evaporation at rates 0.2A/s(for In),1A/s(Au) on lithographically(doubly coated 495k,950k PMMA e-beam resist) done Si substrate at base pressure 2e-6torr. I'm...

18 January 2021 7,550 4 View

How much would be the particle size difference between Malvern Zetasizer Ultra Particle Analyzer and TEM for the same Nanoparticles?

I am measuring the particle size of nanoparticles by Malvern Zetasizer Ultra Particle Analyzer but I am not sure I would get a better size with TEM or not. Because I read in a paper that there is...

05 January 2021 1,612 8 View

Why a distorted admitance value is obtained while doing mixed mode simulation of TFET with dyanamic non local BTBT model in Santaurus TCAD ?

AC analysis of TFET device along with dynamic non local BTBT model shows a distorted admitance. But while using Local BTBT model a good values for the admitance is observed.

20 July 2020 2,465 1 View

If a system is stable in each of the operating regions, can it be said that the system is stable for the entire operating region?

If an operating region is divided into a number of sectors and if it is shown that the system is stable in equilibrium point corresponding to each of the sectors, can it be said that the system is...

21 March 2020 8,816 6 View

Which is the best instrument for the Soil Erosion Measurement?

I want to measure the soil erosion of a watershed. Is there any instrument which will help me to measure the soil erosion?

24 February 2020 8,934 22 View

How to do optimization by neural network in matlab?

I have used 30 experimental data set for ANN modelling (Matlab) and RSM based optimization (Design Expert). The RSM and ANN predicted data was compared and it was observed that the ANN model has...

30 January 2020 7,760 3 View

Where we can find the World geochemical background values of these heavy metals Fe, Zn, Pb, Cr, Cu, Ni, Cd for calc of sediment indexes?

These background values/reference values can be used for calculation of different indexes, viz. enrichment factor, geo-accumulation index, contamination factor, pollution load index and many more.

22 January 2020 8,948 3 View

How to incorporate random uncertainty within the A-matrix represented by a gain block in Simulink?

I have a Simulink gain block that houses the A- matrix of the plant and I want to add randomness into the parameters of A-matrix. How do I achieve that in Simulink?

05 December 2019 6,127 7 View

How to code in Matlab Ellipse by Oblong method?

How to code in Matlab Ellipse by Oblong method? The Video link is given below- https://www.youtube.com/watch?v=TNQE9vN3QJo&t=23s

08 November 2019 3,238 1 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

RIA. How to measure?

When you use RIA, with a control the unknown sample with antibodies, you bare in mind the binding sites of the antibodies. However you still need to measure labelled antigen (radioactive) and not...

28 February 2021 2,133 3 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View

Steps to calculate activation energy by coats & redfern method?

I'm a chemistry student and I'm researching the kinetic degradation of mixed plastic waste. I'm having trouble calculating the activation energy by the coats & Redfern method. The data that...

24 February 2021 974 1 View