Anyone give me a Bismuthene monolayer (2D hexagonal structure) with two Bi atoms in the primitive unit cell cif file?

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Intramolecular Photo-induced electron transfer?

How to perform Photinduced Electron Transfer (PET) Study using Guassian 09? please give me a suggestions. Thanks in advance

03 March 2024 4,971 5 View

How to categorise the type of farmer while considering farming type, landholding type and their behaviours?

I am in the writing part of conceptual framework for the farmer typology. The complications are Farmers are categorized according to the landholdings - marginal, small, medium and large. These...

11 September 2023 6,483 1 View

PET, PCT and NCI analysis in gaussian?

currently, I am working on a computational method of drug delivery system using Gaussian 09. I want to study PET, PCT, and NCI analysis complex systems. let me know the protocol and procedure of...

03 September 2023 9,407 2 View

How to use potassium silicate or sodium silicate in powder form for geopolymer concrete ? Which article or research paper to study for mix design?

Geopolymer concrete research by using Na2sio3 or k2sio3 powder

01 January 2022 6,330 3 View

Which is the best optimization techniques to optimize parameters for heart disease data set?

Doing research in data mining. i have chosen classification and prediction. I have opted medical data sets like heart disease dataset from UCI machine learning repository. Completed imputation...

29 August 2020 7,926 5 View

What does the frontal area of an automobile(four wheeler) has to do with its body being aerodynamic?

The bionic car which is a concept car is said have an good aerodynamic shape. It having a larger frontal area is cited as a reason.

06 April 2017 7,898 9 View

Can anybody suggest me a list of wireless card drivers that support OCB(Outside the context of a basic station set) mode ?

I have tried out the ath9k driver with an appropriate atheros card. But while setting the card to ocb mode I recieved an error.These are the commands I used. sudo iw reg set DEsudo ip link set...

17 October 2016 7,406 3 View

How can I sequence complete HA and NA genes of swine influenza H1N1 positive samples?

I would like to do sequencing of complete hemagglutinin and neuraminidase genes of swine influenza H1N1 positive samples. Please help me by sharing conventional primer sequences to get amplicons...

19 March 2015 3,237 12 View

Does the simulator Exata suit VANETs? Has anybody worked with the same?

Question on Simulator.

09 January 2014 1,206 7 View

Is it possible to remove proteins from the outer membrane surface of red blood cells?

I would like to study certain protein interactions, so I want to remove proteins from red blood cell (RBC) membranes, then check the interaction of my molecule of interest with the RBCs.

28 January 2013 1,508 2 View

1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...

07 August 2024 5,343 2 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 View

Why reactivity isn't increased with more empty spots in valence shell?

If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...

03 August 2024 4,787 2 View

Why do paired electrons atoms produce no magnetic field lines?

If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...

03 August 2024 3,927 2 View

How to treat monolayer culture cell line with essential oil?

Hi all, may I ask you for advice about treating monolayer culture cell line with essential oil. Due to the hydrophobic character of the oil, I am concerning how can it equally affect to all the...

31 July 2024 5,301 2 View

How can you draw a coordinate bond between a metal and donor atom in metal complexes, using discovery studio visulizer software?

Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer

30 July 2024 3,354 1 View

How to do pca analysis of c-alpha atom of the protein?

i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...

30 July 2024 1,607 1 View

Why am I observing very high Temperature and Pressure Increase using NPT Ensemble?

Hello everyone, I am running DFT with CP2K software at 1200 K, 1 bar with a periodic system of 64 Al atoms + 2 CO2 atoms. However, I am seeing my temperature slowly increase to >4000 K and my...

22 July 2024 3,177 0 View

How to create parameter and coordinate files for ligand in amber when FATAL error (maybe due to duplicate bond specifications) happens?

Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...

17 July 2024 3,472 3 View