Statements (26)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational chemistry method
|
| gptkbp:citation |
Weinhold, F.; Landis, C. R. (2005). Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective.
Reed, A. E.; Weinhold, F. (1983). Natural bond orbital analysis of near-Hartree–Fock water dimer. |
| gptkbp:developedBy |
gptkb:Frank_Weinhold
|
| gptkbp:firstPublished |
1980
|
| gptkbp:fullName |
Natural Bond Orbital analysis
|
| https://www.w3.org/2000/01/rdf-schema#label |
NBO analysis
|
| gptkbp:implementedIn |
gptkb:Gaussian_software
ORCA software NBO program |
| gptkbp:provides |
Wiberg bond indices
natural atomic orbitals natural bond orbitals natural hybrid orbitals natural localized molecular orbitals second-order perturbation analysis |
| gptkbp:relatedTo |
molecular orbitals
quantum chemistry Lewis structure charge transfer delocalization |
| gptkbp:usedFor |
analyzing electron density
interpreting wavefunctions studying chemical bonding |
| gptkbp:bfsParent |
gptkb:Frank_Weinhold
|
| gptkbp:bfsLayer |
7
|