Welcome to iChem!

[@stanislavwaclavek8165]

IaNiusha, you have a really amazing chanel! Please start to record videos again :-).

[@Daniel-xi4bo]

big congraaatssss

[@pramodpandey3745]

Thank you very much for your all help for the betterment of sciences.

[@Aragmatiki]

you are a godess

[@cesarioajpicondori6478]

Thank you very much for your tutorials.

[@skovalchuk8699]

Hi, thank you for your tutorials, it would be great to see from you a tutorial about periodical calculations, and about some program which can do it, maybe Siesta, for example.

[@alahmed8042]

thank you for your all tutorials

[@neurorishika]

Thank You so much for these tutorials

[@kermichemgp]

you are beautiful

[@science_10523]

thank you Dr. IaNiusha. Can you please guide us to do the abinitio calculation by orca?

[@garywashington9391]

Please consider exploring NWChem and Siesta

[@haggawagga4850]

Hi IaNiusha, Just discovered your channel, very good idea! Congratulations on reaching 650 now. I think it was time for someone to step in and run a very good computational science KZbin channel and its gotta be you! Thanks. where have you been then? Did you delete your channel page? Gives error.

[@IaNiusha]

which channel page are you talking about? everything seems in order on my side

[@haggawagga4850]

Oh well, your channel page was out of reach but it is fixed now. KZbin glitch. Also your list did not work, I was thinking about a series of tutorials around forcefield and parameterisation of compounds by mechanical or molecular quantum calculations in Spartan, Gamess or Gaussian. Forcefield is the backbone of computational chemistry otherwise it is just 3D drawing. What do you think IaNiusha?

[@GpGx9955]

a Gamess installetion tutorial would be awesome!

[@moertelruehrer]

Thank you very much for your tutorials - especially the ORCA ones :). The CompChem courses at my university were pretty much useless since they were all based Molpro (developed by my university) which is not available for us students nor for most of our research groups which is pretty... let's say pathetic :D...

[@a-khshihab1537]

hi, i have a problem in calculating HOMO-LUMO values of a certain molecule i found difference between value obtained from the drag of out-put file into avogadro and the values obtained by counting to the beta or alpha electrons which of them are the correct and i wonder shouldn't they give the same value

[@houdini3dLegend]

thank you!

[@quimicamaxima]

Hi, I wanted to be able to make a potential energy surface (PES) for a triatomic system. It would be difficult to make a tutorial. O3 could be. In orca

[@IaNiusha]

you mean like a electron density plot?

[@quimicamaxima]

As in (DOI: 10.1039/C4CP05352D) Fig 1

[@IaNiusha]

Oh ok! I'll see what I can do

[@ruslanzaraf8298]

Сразу видно, что русская =)

[@mogamigawa1115]

Вот мне тоже так кажется. Красивая и умная.