Abstract
This chapter contains sections titled: Introduction Molecular Modeling Wave Function Theory, WFT Density Functional Theory, DFT Orbitals Basis Sets Solvation Analyzing the Reaction Energies Analyzing the Electronic Structure References
- Title
- Modeling in homogeneous catalysis: a tutorial
- Creators - without role
- Eric Clot - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGMPer Ola Norrby - Department of Chemistry and Molecular Biology [Gothenburg]
- Contributors - without role
- Pher G. Andersson
- Publication Details
- Innovative Catalysis in Organic Synthesis, pp.167-191
- Identifiers
- 9940579609311
- Academic Unit
- Institut Charles Gerhardt Montpellier - ICGM
- Language
- English
- Resource Type
- Book chapter
- Local Fields
- hal-00719441