Hello, this Page will go Hand-in-hand with my Practical guide.

You can access the Practical guide here: A Beginners Guide to Quantum Computational Chemistry and its Visualization.

WHY ARE WE DOING?

This question in the Practical guide is Answered in a very crisp and a concise manner. Here i would like to shed some more light onto it.

Since i was introduced to extraction especially given that my current area of Research is Deep Eutectic Solvents (DES) Assisted Extraction, I was always intrigued behind the WHY of extraction. I read many papers on DESs Assisted Extraction but almost none of them shed light onto WHY Extraction occurred. Some mentioned reasons but they were very superficial. The ones which were explaining the molecular perspective, were VERY TECHNICAL And i often overlooked them cuz they were so HEAVY. All these numbers, all these diagrams. All this was too heavy for me.

Computational chemistry was something i never really thought i would get into until now.

To answer the question. I would say, We are doing COMPUTATIONAL CHEMISTRY to REALLY UNDERSTAND WHAT IS HAPPENING and Studying it on a fundamental.

If something is being Extracted, WHY is it being Extracted from a fundamental level. That motivation, that satisfaction of knowing why something is happening, from a fundamental aspect, that knowledge is invaluable.

The Fact that this knowledge is so scattered and practically is so closed, makes it hard for aspiring researchers to give up early due to the shear confusion JUST TO SET THINGS UP.

TO BE HONEST I HAVE SPENT 2 DAYS, and a total of 14 hours on just figuring out HOW TO INSTALL THE RIGHT things.

To know what you need and why you need it is essential.

Hope this answers the question well and is enough of a motivation to get into Computational chemistry. TRUST ME, ITS VERY INTERESTING AND WHEN YOU SEE WHY SOMETHING, YOU WILL BE SO HAPPY LIKE A LITTLE BABY XD. It’s like solving a puzzle you didn’t think you could. That feeling? It’s pure.

i was happy when it worked and i wanna share this hapiness with you all.

WHAT ARE WE DOING?

We are using Some tools to Study Extraction at various levels and from different perspectives. Consider this like a detective Game Solving a Kidnapping Case. You Know the kidnapping is done, You also know know who the kidnapper is. But How was the kidnapping committed? What was the motive? What tools were used? Where did it happen? Why did it happen like that?