Can anyone help me in providing the .CIF file for LSCF (La0.6Sr0.4Co0.8Fe0.2O3-d) and BSCF (Ba0.6Sr0.4Co0.8Fe0.2O3-d)?

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How to perform MD simulation to calculate point defect concentration with temerature?

any reference for code is very beneficial to me. also how to relate this with diffusion in lammps

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For EAM potential development in many places use ab-initio MD in DFT for generation of forces and final atomic coordinates. Why through ab-initio MD ?

Why ab-initio MD and at what temperature I have to take for potential generation?

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Co-existance of three- and four-wave interactions for MSSWs?

I am trying to understand the three- and four-wave nonlinear interaction for magnetostatic surface spin-wave (MSSWs). In [1], the authors have mentioned three- and four-wave nonlinear interactions...

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How to generate new inputs using the multiple structures given in the output of a relax-scan job in Gaussian-16 ?

In the a molecule I am working on, there is a certain O-H bond. I wanted to study the variation of energy on changing the bond length, for that I did a relax-scan computation on g16. I have...

08 September 2023 3,797 3 View

How to ensure repeatability of your results in R across sessions?

I am developing a Random Forest model in R. My script yields randomness in results at three specific points: (a) random splitting of test and train data, (b) recursive feature selection, (c)...

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Neural network architecture where only input layer is trained?

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Is there any manual available for general method development of bioactive natural products? like for separating alkaloids etc?

HPLC method development.

05 July 2023 1,572 2 View

What are co-ordinates of Ni (with both spin up and down) and O in NiO?

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07 June 2023 7,174 1 View

Is anyone interested in academic collaboration?

I am looking for collaborators in the domain of IoT/Edge Computing/Geospatial Systems. If you are interested please reply with your mail ID.

06 June 2023 2,448 1 View

How do I replace a file with a more recent version of a paper that was uploaded to ResearchGate?

The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...

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How to solve g_mmpbsa error?

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How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

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AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

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JCPDS 65-7246 file please?

Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance

04 August 2024 5,613 1 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

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How to change the version of the article full-text pdf file?

How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...

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Difficulty with permittivitt and Magnetic Permeability Calculations?

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

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CAD File of human's & rat's respiratory airways ?

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​ Regarding Virtual XRD pattern using LAMMPS ?