Crystal Explorer - Hirshfeld surfaces, interaction energies, Energy framework network analysis

#crystalexplorertutorial #crystalexplorer #crystalexplorertraining #hirshfeldsurfaces
Crystal Explorer - step by step procedures for Hirshfeld surfaces, interaction energies, Energy framework network analysis
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[@ovalyadav]

Sir, your way of teaching is outstanding...atlast found an indian computational expert meeting all our needs...otherwise we used to see videos of experts outside

[@VarshaJohn-zj3ci]

Thank you so much sir, you are a life saviour

[@CartoonSongs12]

Thank you sir for providing most valueable idea about hirshfeld .love from nepal❤❤❤❤❤

[@ahmedboshaala6849]

Excellent explanation, very helpfull Thank you Dr. Ravikumar Chandrasekaran

[@chandanasn5527]

Thank you so much sir. Please make video on crystal structure description, how to analyse the molecular structure

[@zamzamali4842]

Thank you! God bless you!

[@AhlemDadi]

Thank you very much for this interresting explanation

[@smallick85]

Very helpful video. Thank you for this nice tutorial

[@moniruzzaman8249]

Very useful tutorial, thank you sir

[@drganeshsmhaske1979]

Dear sir please make video on how to prepare cif file so that we can use crystal explorer.
Your all videos are really very fruitful and thanks a lot. 🙏🙏👍👍

[@youjunyang6919]

Thanks for the teaching.

[@khaleelahmedazadar437]

Excellent information thank you very much sir,God bless you sir

[@muthutamizh]

Excellent

[@winfredjebarajj6147]

very easy to understand sir. God bless you. Release many videos like this. It will help many research scholars.

[@mokadrissi5367]

thank you so much sir you are a good man

[@iitian_wala4734]

Thank you Sir

[@dr.revathiselvakumar9392]

Excellent explanation sir, thank you sir

[@ramprasadbhatt8081]

Thank you so much, Sir very informative talk.

[@senthilkumar-bd3vo]

Great work sir 👍👍

[@crkphy]

Thank you! Cheers!

[@Dr_Chemistry-Wallah007]

Great video..thank you

[@supriyohalder6453]

Excellent Video.....

[@adnanleghari5157]

Appreciated from Pak

[@premkumarjayaraj7910]

Very interesting sir. Thankyou.

[@rajeshpoonia2771]

Thanku sir it is much useful

[@bhaskar853]

Sir, Your video is very helpful for my research. I have some queries. I have two polymorphic form of a organic compound. In the first polymorph, the assymetric unit contains 1 molecule, whereas in the next polymorph the assymmetric unit contains 2 molecules. My question is how to generate the Hirshfeld surface and calculate energy for the later polymorph?

[@fitchem11]

Hi there. have u got the solution on your question?

[@reemaborkar8492]

Thank you sir for the video. Sir could you please tell how to calculate void spaces using this software

[@sahinreja170]

Thank you very much sir.

[@shayalone7893]

Thanks a ton sir.

[@prakassamanta8982]

Respected Sir, Please make a video on DFT calculation using Gaussian software for elecrgy storage system, such as electrode material, electrolyte, etc.
.

[@Rjkavi_ias]

Sir. Good evening. Thanks sir. I got the answer for my doubts. Some problems are attained. Can you help me sir

[@haelbadawy]

Thanks for the clear demonstration, i have a problem with the crystalexplorer. The fingerprint was working well but suddenly it became disabled. can anyone help solving the problem, please??

[@HamidAli-hq1vn]

Great work sir ..kindly keep me join in ur online workshops ...

[@crkphy]

Sure 👍

[@shinajkr1846]

Can we calculate the void volume inside a molecule using the crystal explorer ?

[@ziadkhattari2150]

Great Video, I have one problem when rum the explorer, when i want ot find the enrgy or the electron density, i encounter the follwoing error message: Ther is an error in the Tono stdout file, and no data has been loaded. The stdout file wil be shown for inspection ;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Thus one any one help me to resovle this issue, many thanks

[@prakassamanta8982]

thanks a lot sir...

[@madhubrataghora9178]

Thank you sir, please make a video on Lattice energy calculation using PIXEL.

[@tarunpal2010]

Please upload a video, how to calculate second and third order Hyperpolarizabilities. Thanks in advance.

[@bnprustii4353]

Thank you a lot sir. But pink ia not in pair. Only one pink molecule is there. Can you just clarify that. Thank you again

[@freethinkers10]

SIR, WHEN I AM CALCULATING THE ENERGY IT IS NOT GOING BEYOND 12 PERCENT, what should I do/ or where is the problem

[@dipankarghosh9603]

Thank you..

[@JyotiYadav-ln6hb]

Hello, Dr. Chandrasekaran. I tried many times with a crystal structure with Fe and Co system, but every time the calculation terminated with the crash of the software. How to solve this problem? Any Idea

[@fakhrulnawawi9681]

The fingerprint discuss the intermolecular or intermolecular attraction forces?

[@kavithan1488]

Sir can u tell me how to create cif file from CCDC website

[@mahabharathi7236]

thank you so much sir it's very useful. we can do for metal complexes also?

[@amirulazhar6604]

Hi Dr, I am interested in simulating the surface of cocrystal (composed of 2 molecules in a crystal lattice). I have tried to simulate the crystal surface of both molecules but resulted with error. Also tried the energy calculation resulted to only 1 atom. Could you help me on this matter. Thank you

[@ramkumar-vf9lm]

Make a video to how to calculate ped in DFT

[@adnanleghari5157]

My Cif file is not opening, Is there anyone to guide me regarding the opening of Cif file in crystal explorer

[@maroofahmadkhan9106]

thank very much your nice and helpful video. I have tried to calculating interaction energies via crystalExplorer 17.5 but energy calculation button is not working. kindly give me some useful suggestion. thanks and regards maroof ahmad khan

[@ajazhussain1000]

Thank you so much. Please make more videos on other free crystal software.

[@crkphy]

I will try my best

[@muhammadyar1110]

@@crkphy sir can we use gif or any other file extension despite of cif

[@sedatgumus414]

Hello, after having listen to crystal Explorer, i have downloaded it from the official Web Page. But i can not open my cif file on this program. In the manual, it says that every crystalogphy instrument has a different cif format, so you should check your cif file from the CCDC's software. And then, i did it but this program can not still open it. The official site didnt even reply to my e mail. What can i do?. Any advice?

[@sedatgumus414]

@@waryasb9240 no

[@PP-cp1uf]

Sir can you give detailed information about Mercury software as well ?

[@zamzamali4842]

How can we add diffused functions to the basis sets?

[@explorer7301]

Sir i need to calculate the surface energies forces like vander waal electrostatic and polar energies in a colloidal solution by molecular docking so can you please recommend me some docking software (need to calculate the interaction energies)

[@abbasghulam]

Sir could you write me about how I can open the CXP file to png or jpeg /view and present in publications.

[@earthlanguage874]

Sir How can we calculate the Crystal Density of a new molecule using this software ?

[@jeyapandis2714]

Dear sir
is this work possible for Inorganic compounds like SnO2 and LaCoO3 (perovskite structure)?

[@varunsharma196]

Please help sir, Even after generating Hirschfeld surface the button for 2D surface is activated

[@user-hd5ow1rx3d]

how to run guusian output file into crystal explorer

[@vineethavs2714]

Can you please explain how to study NLO property of materials using gaussian?

[@ss-iw8zu]

Sir we find out dft study to binary and ternary compound by gaussian

[@shamimahmad7767]

Hellow sir, I am struggling to find out hyperpolarizability tensor from Gaussian, kindly help me out.

[@harshagopalagrawal8004]

sir how to calculate voids?

[@madhuratk6193]

Sir. How to calculate enrichment ratio?

[@ranjaydt9292]

Homo and lumo energy from crystal explorer software?

[@anthonipraveen7818]

Sir, I have installed C Explorer 17.5 in my PC. I followed all the steps you explained in the video but the energy calculation button is not seen. What may be reason, and how to fix it?. Please help.

[@ferjanihela7776]

May be you downloaded the crystal explorer version 3

[@rohitanandiitkgp9146]

Dear sir i am student of iit kharagpur, can you put a tutorial of caculation of adsorption energy using vasp, because it will be very helpful for my research work.

[@VarshaJohn-zj3ci]

Sir, I am not able to calculate energy with gaussian in crystal explorer. I did all the adjustments that you mentioned

[@crkphy]

Then you have to check your cif file.

[@VarshaJohn-zj3ci]

@@crkphy Actually, the software crashes during calculations. My laptop is in a working condition, but somehow this software doesn't work with it

[@Sarasami1914]

Bouton D2is desactivate why

[@user-vg3uj4fr2n]

Sir, Really good informative video I need your email id for clarification reg tonto file

[@spcchemtutor6857]

Thank you sir