Linked Questions

8
votes
1answer
385 views

What are introductory level books on chemical engineering?

I'm currently enrolled in a chemical engineering course in my college, and in my first year, I'd like to get a nice introductory book on that field of study. I'd prefer that the book covers several ...
7
votes
1answer
374 views

What is the correct approach to obtain PES using CASSCF?

I am new to CASSCF. I want to draw a PES for the ground state and the first excited sate of methyl amine for learning purpose. I want to verify if I am correct using the correct approach. Do a ...
5
votes
1answer
97 views

Global reactivity parameters from open shell DFT calculations using Koopman's theorem

Koopmans' theorem is a useful approach to calculate the global reactivity parameters from the HOMO-LUMO energies. My question is, does it apply to the open-shell systems where we get two sets of ...
5
votes
1answer
179 views

How is a NMR spectrum obtained?

I am reading about NMR, and from what I'm understanding it should give information on the transition energies in the spectrum of the nuclear spin in a magnetic field. What I don't understand is how ...
4
votes
1answer
833 views

Why do we observe signal coalescence during dynamic NMR?

At low temperature, the rotation around the N-C amide bond of dimethylformamide is slow, so the two methyl groups are in different chemical environments. The H NMR thus shows a peak for each of the ...
4
votes
1answer
7k views

Organic chemistry textbook for self-learning? [duplicate]

I am interested in learning organic chemistry in order to solidify my knowledge of molecular biology. However, there are a lot of options for organic chemistry textbooks, and I plan on simply ...
3
votes
1answer
104 views

Is there a “Comprehensive Solid State” book?

We have Comprehensive Coordination Chemistry, Comprehensive Organometallics, Comprehensive Organic Synthesis and probably few other similar works that aim to do a wide review of recent works at the ...
3
votes
1answer
319 views

Books on Chemical Reaction Theory [duplicate]

I got interested in Chemical Reaction Theory by studying the lecture notes of Feinberg and related papers for my bachelor thesis and want to dive deeper into that subject. Are there any books you ...
2
votes
1answer
51 views

Learning chemistry in a new language [closed]

I'm from Slovakia, 16 and like chemistry a lot. I want to pursue it in the future but there aren't any good universities here where you can get a Ph.D. in chemistry so I want to go abroad, preferably ...
2
votes
1answer
53 views

Book reference for electronic occupation of TM

Is there a book I can reference that has a table like this? I can't reference an online source on my thesis and all the pictures I have found online like this don't make their reference explicit. ...
2
votes
1answer
136 views

What are good examples of questions that make college students think about chemistry concepts? [closed]

I am teaching the second semester of general chemistry at the college level. The course tends to get bogged down in calculations, and sometimes we forget about the big picture and what is going on at ...
2
votes
1answer
142 views

Inorganic chemistry for condensed matter physicists

I'm a theoretical condensed matter physicist, on a field of magnetism research. I wonder if any of you could recommend a concise and well-written textbook on inorganic chemistry to learn concepts of ...
2
votes
1answer
62 views

What do you think is a good way to explain electronic configurations? [closed]

Understanding electronic configurations is vital, but a huge number of students face difficulties in understanding the why and the how. What approach do you think I should take in explaining ...
2
votes
1answer
831 views

Periodic boundary conditions in DFT for cylindrical system

As I understand it, a DFT calculation uses periodic boundary conditions, whenever you want to simulate a bulk material. This is convenient because all information can then be extracted from the ...
2
votes
1answer
411 views

Are bones generally harder to corrode than human skin?

I am making a fantasy universe and really I am also curious to know if bones generally are harder to corrode than human skin in our world and at what rate? I was thinking to compare how a skeleton ...

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