Linked Questions

-2
votes
1answer
80 views

Mastering inorganic chemistry for university [duplicate]

I want book recommendations for inorganic chemistry. I want to learn it in a way that every behavior or equation of elements seems logical and can be explained. Is there any book of that sort? It ...
1
vote
0answers
43 views

Good summary of highschool to university chemistry [duplicate]

DISCLAIMER: I've browsed similar questions, but sadly they refer to books that're either too basic or too specialized. Hello. I'm studying mechanical engineering (1st year), and we have to do a ...
3
votes
0answers
43 views

what are some books and research papers that an aspiring theoretical chemist must read? [duplicate]

Can anybody suggest books that must be read by someone who wants to work in the field of theoretical and computational chemistry?
0
votes
0answers
35 views

How can I obtain the wave function of the dihydrogen system, by hand using Self Consistent Field DFT calculations? [duplicate]

After doing some energy calculations for the $\ce{H2}$ system in Gaussian, using ωB97X-D/STO-3G level of theory, and generating a .wfn file, I wanted to understand better how the computer does ...
2
votes
0answers
32 views

Guide to DFT functionals [duplicate]

Having recently begun studying Quantum and computational chemistry in depth... I am looking for a manual, text, or guide of any form that could explain the basic formulations and potential of the ...
0
votes
0answers
31 views

Book Recommendations for Inorganic Chemistry Mechanisms [duplicate]

I am looking for a book which has details or basics to reaction mechanisms for inorganic chemistry for highschool level(preferably) or maybe undergrad level. Basically I am looking for a book which ...
0
votes
0answers
31 views

Chemistry books for the general reader [duplicate]

I’m quite interested in chemistry, but reading the textbooks are a bit challenging. Are there any good chemistry books for the general reader that go a bit beyond the basics?
0
votes
0answers
27 views

Inorganic foreign author books for odd electron species [duplicate]

I need a foreign author book which explains odd electron species in great detail ,(explaining dimerization , energetic) telling hybridization of central atom with one unpaired electron on it pls tell ...
0
votes
0answers
24 views

Books for organic chemistry [duplicate]

What is the best book to start organic chemistry once I know the basic knowledge of reaction mechanisms like substitutions (nucleophilic, electrophilic and some basic other mechanisms that are given ...
0
votes
0answers
22 views

Formulation chemistry. Can somebody suggest me an introductory book on this subject? [duplicate]

I am looking for an introductory book on formulation chemistry: the book should cover physico-chemical aspects in designing a formulation and also, if possible, the chemometric basic concepts used in ...
0
votes
0answers
19 views

What does it mean to have coupling in H-NMR spectra? [duplicate]

That's the thing I didn't really get about NMR. By coupling, are the hydrogens coupled in that they split each other?
1
vote
0answers
18 views

What is a good undergraduate bioorganic chemistry book? [duplicate]

What is a good undergraduate bioorganic chemistry book? I would like one of these as I'm tired of non-university books on the subject.
25
votes
3answers
2k views

A comprehensive list of theoretical approximations that are used in computational chemistry

I am having trouble recognizing all the approximations that are used in computational chemistry. I would like to start an answer list (similar as to the list of resources for learning chemistry) that ...
14
votes
4answers
4k views

Restricted open-shell versus unrestricted methods for open shell systems

Open-Shell systems (radicals and so on) can be modeled by single-determinant quantum chemical methods using unrestricted (u) or restricted open-shell (ro) methods (I am aware that single-determinant ...
14
votes
2answers
2k views

How do I make 3d molecular graphics similar to those shown on Wikipedia?

I want to make 3d molecular graphics similar to those found on Wikipedia. In the page for benzene, you can see the structure looks like this: However, if I go to the interactive image as shown in ...

15 30 50 per page