Subject
molecular orbital theory
25
electronic structure
23
molecular orbital
16
molecular structure
15
quantum chemistry
12
chemical bond
8
molecular rotation
7
transition metal
7
complex
6
quantum theory
6
ab initio calculation
5
charge exchange
5
computational chemistry
5
density functional theory
5
excited state
5
molecular dynamics
5
molecular physics
5
Schroedinger equation
4
chemical reaction
4
electronic properties
4
ligand field theory
4
charge
3
electron
3
inorganic complex
3
molecular dynamics calculation
3
molecular electronics
3
molecular interaction
3
molecule
3
organic chemistry
3
solid state theory
3
spectroscopy
3
symmetry
3
symmetry group
3
vibrational spectroscopy
3
band theory
2
binding energy
2
charge transport
2
computer simulation
2
correlation
2
crystal field
2
electron exchange
2
electron mobility
2
electron spectroscopy
2
electron transport
2
fullerenes
2
group theory
2
high temperature superconductor
2
interaction
2
ligand
2
metal
2
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