Similar to 原子価殻電子対反発則
2
2
3
3
4
4
5
5
6
6
7
7
8
8▼-1 trends
9
9
13
13 (number)
19
19 (number)
40
40 (number)
50
50 (number)70
70 (number)
量子化学
Quantum chemistry
DIIS
DIIS
Gaussian
Gaussian (software)International Journal of Quantum Chemistry
International Journal of Quantum Chemistry
LCAO法
Linear combination of atomic orbitals
ONIOM
ONIOMPAICS
RRKM理論
RRKM theory
STO-nG基底関数系
STO-nG basis sets
Quantum ESPRESSO
Quantum ESPRESSOVienna Ab initio Simulation Package
Vienna Ab initio Simulation Package
イオン化エネルギー
Ionization energy
一電子近似
一般化勾配近似
一般化された原子価結合
Generalized valence bond▲1 trends
