Density Functionals Thermochemistry
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each the...
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| Format: | eBook |
| Language: | English |
| Published: |
Cham
Springer International Publishing
2015, 2015
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| Edition: | 1st ed. 2015 |
| Series: | Topics in Current Chemistry
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| Subjects: | |
| Online Access: | |
| Collection: | Springer eBooks 2005- - Collection details see MPG.ReNa |
Table of Contents:
- Real-space correlation models
- Functional development, RPA, dispersion
- Range-separated functionals
- Non-local functionals for surface chemistry
- Combining DFT and wave function methods
- Homodesmotic reactions, substituent effects
- Dispersion interactions
- Local-hybrid functionals
- Isodesmic reactions, strain, conjugation
- Partition density functional theory Fractional charges and spins