Similar to 一般化された原子価結合

CHELPG

ONIOM

RRKM theory

Chemical bond

Valence bond theory

Slater's rules

Electron shell

Electron localization function

Electron pair

Inert-pair effect

1-Naphthol

1048576

Quantum chemistry

DIIS

Gaussian (software)

International Journal of Quantum Chemistry

Linear combination of atomic orbitals

QM/MM

STO-nG basis sets

Quantum ESPRESSO

Vienna Ab initio Simulation Package

Ionization energy

Energy level

Size consistency and size extensivity