How to calculate oxygen in ml in 1000 ml jar?

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In Differential Scanning Calorimetry Testing (DSC) can we use liquid sample like some oil or waxes?

In Differential Scanning Calorimetry Testing (DSC) can we use liquid sample like some oil or waxes? Thermal efficiency analysis

09 October 2016 9,729 28 View

If Q2 values between 0.3 and 0.6 for all models so how to prove model still have good predictive capability?

Response surface methodology, modelling

04 May 2016 1,827 0 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 269 3 View

Aspen Plus Simulation?

Greetings When one is to perform Simulation or modelling of Pyrolysis of Biomass Waste materials using Aspen Plus software, and one has both the macromolecules breakdown (Cellulose, Lignin and...

06 August 2024 5,023 1 View

Why results of ROS flurescence are negative as there was no bacteria within?

Hello. I am working on ROS production of two systems: system A is cerium oxide and hydrogen peroxide, system B is cerium oxide nanoparticle, hydrogen peroxide and potassium bromide. I did some...

04 August 2024 5,974 3 View

Why aren't most metal oxides insoluble in water?

Why BaO (s) + H2O(l) ---> Ba 2+(aq) + 2 OH - (aq) if Oxygen loves owning all the electrons, why would it bind to hydrogen which competes with Oxygen for electron ownership more so than...

03 August 2024 5,392 1 View

How to Transform my handy-wavy explanation of why group I/II metals oxides in aqueous solution are basic into a rigorous argument?

I heard an explanation about something being a better proton acceptor or lone pair donor but that doesn't make sense. I couldn't explain in in terms of acid-base theory. The hand-waving way I saw...

03 August 2024 9,918 0 View

¿Are oxygen vacancies in semiconductors capable to change the band gap?

Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...

30 July 2024 8,339 2 View

Why Orca calculations take too loong?

Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...

25 July 2024 3,364 5 View

MDCI module in Orca software?

Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...

21 July 2024 1,632 0 View

Should a defect induced structure be optimized in a DFT calculation?

I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...

18 July 2024 1,794 2 View

What is the recommended type of pseudopotentials for QE?

Hello dear colleagues and professors Please what is the recommended type of pseudopotentials for QE? ultrasoft or norm conserving?? And from where get all types of pseudos (us, nc, pbe,...

09 July 2024 9,541 5 View