Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

Riley et al discuss the stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

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Veröffentlicht in:Chemical reviews 2010-09, Vol.110 (9), p.5023-5063
Hauptverfasser: Riley, Kevin E, Pitoňák, Michal, Jurečka, Petr, Hobza, Pavel
Format: Artikel
Sprache:eng
Schlagworte:
Chemical reactions
CHEMISTRY
Density
Density functional theory
DNA - chemistry
Environmental Molecular Sciences Laboratory
FUNCTIONALS
Hydrogen Bonding
Mathematical analysis
Models, Theoretical
Molecular biology
Molecular structure
NANOSCIENCE AND NANOTECHNOLOGY
NANOSTRUCTURES
Proteins - chemistry
Quantum Theory
RNA - chemistry
STABILIZATION
Static Electricity
WATER
WAVE FUNCTIONS
Wave power
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Zusammenfassung:Riley et al discuss the stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.
ISSN:0009-2665
1520-6890
DOI:10.1021/cr1000173