Density Functionals Thermochemistry /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Johnson, Erin R. (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Σειρά: Topics in Current Chemistry, 365
• Θέματα: Chemistry.; Physical chemistry.; Chemistry, Physical and theoretical.; Surfaces (Physics).; Interfaces (Physical sciences).; Thin films.; Theoretical and Computational Chemistry.; Surface and Interface Science, Thin Films.; Physical Chemistry.

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...

Πίνακας περιεχομένων:

• 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.