Density Functionals Thermochemistry /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Johnson, Erin R. (Editor)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Series: Topics in Current Chemistry, 365
• Subjects: 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...

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.