Abbreviations
Last updated
Last updated
abbreviation
definition
SQM
semiempirical quantum mechanical (method)
GBSA
generalized born surface approximation
DFT
density functional theory
FF
force field
CREST
conformer rotamer ensemble search tool
CENSO
command-line energetic sorting
NMR
nuclear magnetic resonance
OR
optical rotatory dispersion
GFN
Geometry Frequency Noncovalent interaction
GCP
geometric counterpoise correction