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A Chemist's Guide to Density Functional Theory || Hydrogen Bonds and Weakly Bound Systems

โœ Scribed by Koch, Wolfram; Holthausen, Max C.


Publisher
Wiley
Year
2001
Weight
301 KB
Volume
10.1002/3527600043
Category
Article
ISBN
3527600043

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A Chemist's Guide to Density Functional
โœ Koch, Wolfram; Holthausen, Max C. ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Wiley โš– 222 KB ๐Ÿ‘ 2 views

## Relative Energies and Thermochemistry Information about the energetic properties of molecules is at the heart of every quantum chemical investigation. In this chapter we will take a close look at the performance of current approximate density functionals when it comes to the determination of su