Questions tagged [valence-bond-theory]

A class of theory to explain chemical bonding. This focuses on how the atomic orbitals of the dissociated atoms combine to give individual chemical bonds when a molecule is formed.

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19
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4answers
423 views

What are the types of bond orders?

I am studying the interaction of a metal with a nanostructure. As we can not trust graphical software about the bond formation, I decided to analyze them using the software Multiwfn. It happens that ...
17
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5answers
1k views

Bond length from infrared spectra?

It's been taught by my lecturer that infrared (IR) spectra are widely used for chemical bonding determination. My question is: is it possible to calculate bond lengths according to the IR spectra? If ...
10
votes
1answer
67 views

How to understand the formation of covalent bond from the viewpoint of wavefunction interaction?

The formation of the covalent bond is usually understood from the electron sharing, like explained by the following figure: However, this simple physical picture seemingly hinders many things. In ...
10
votes
1answer
58 views

Are there any programs that can do non-orthogonal CI?

Could you list any programs that can do non-orthogonal CI please?
7
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1answer
97 views

Bond Order: When and how is it used today?

We all learned about single vs double vs triple bonds in high school chemistry and biology. We learned that unsaturated fats have double bonds whereas saturated fats have only single bonds, which ...