Books on Molecular Orbital Theory

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SUMMARY

This discussion focuses on recommended literature for understanding Molecular Orbital Theory at a graduate level. Key suggestions include "Inorganic Chemistry" by Catherine E. Housecroft and "Molecular Orbital Theory" by Ballhausen and Gray, which provides a comprehensive overview from basic to advanced topics. Other notable mentions are "Modern Quantum Chemistry" by Szabo and Ostlund, and "Methods of Molecular Quantum Mechanics" by Roy McWeeny. Participants emphasize the importance of expert-recommended texts over general Google searches for quality resources.

PREREQUISITES
  • Understanding of basic quantum mechanics principles
  • Familiarity with inorganic chemistry concepts
  • Knowledge of molecular structure and bonding theories
  • Ability to interpret scientific literature
NEXT STEPS
  • Research "Inorganic Chemistry" by Catherine E. Housecroft for foundational knowledge
  • Explore "Molecular Orbital Theory" by Ballhausen and Gray for a structured approach
  • Study "Modern Quantum Chemistry" by Szabo and Ostlund for rigorous theoretical insights
  • Investigate "Methods of Molecular Quantum Mechanics" by Roy McWeeny for advanced methodologies
USEFUL FOR

Students and professionals in chemistry, particularly those specializing in theoretical and quantum chemistry, as well as educators seeking comprehensive resources on Molecular Orbital Theory.

Wrichik Basu
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I need good books on Molecular Orbital Theory. The book(s) should have the basics, and the level should not be less than graduation.

I have Quantum mechanics books, but they don't throw any light on this. My course books are rubbish, only mentioning the name of the theory and some illogical thoughts, which I know very well are wrong.
 
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Google Books; ' Molecular Orbital Theory ' will give you many links to relevant books.
 
Wrichik Basu said:
I need good books on Molecular Orbital Theory. The book(s) should have the basics, and the level should not be less than graduation.

I have Quantum mechanics books, but they don't throw any light on this. My course books are rubbish, only mentioning the name of the theory and some illogical thoughts, which I know very well are wrong.

You need Inorganic chemistry by Catherine E Housecroft.
 
Baluncore said:
Google Books; ' Molecular Orbital Theory ' will give you many links to relevant books.
True, but they'll not be recommended by experts, which I'll get here.
 
How about: Ballhausen, C., Gray, H. - Molecular Orbital Theory (Benjamin, 1965)? I think it is quite readable, the first 135 pages contain the theory from simple, basic topics up until advanced things. I wonder what our distinguished member @DrDu would suggest.
 
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Distinguished member remembers mainly Szabo, Ostlund, Modern Quantum Chemistry, Dover Publications. Like any book on orthodox MO theory a bit boring but rigorous, and at least still unpestered from DFT.
I also remember Werner Kutzelnigg, Einführung in die Theoretische Chemie (not sure whether there is an english edition).
More fun is Roy McWeeny, Methods of Molecular Quantum Mechanics.
 
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Wrichik Basu said:
I need good books on Molecular Orbital Theory. The book(s) should have the basics, and the level should not be less than graduation.

I have Quantum mechanics books, but they don't throw any light on this. My course books are rubbish, only mentioning the name of the theory and some illogical thoughts, which I know very well are wrong.
Just a personal statement... This is what attracted me to...Chemistry, Physics, Electronics.... You look at that 'stuff' seemingly resolute... but under the 'skin' a work in progress.....
 
Frabjous said:
I do not think it is exactly what you are looking for but you might enjoy
Chemical Bonds by Gray https://authors.library.caltech.edu/records/9a8mg-92j96
Begin right "The basic approach of using illustrations profusely in presenting concepts has been retained in this monograph" Nice start... Thanks
 
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Wrichik Basu said:
I need good books on Molecular Orbital Theory. The book(s) should have the basics, and the level should not be less than graduation.

I have Quantum mechanics books, but they don't throw any light on this. My course books are rubbish, only mentioning the name of the theory and some illogical thoughts, which I know very well are wrong.
One of my stumbles, but I learned from it. Nuclear Transfer Technology in Mammalian Cloning" by Robert Norgren
 

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