Subject
electronic structure
27
molecular orbital theory
25
molecular orbital
16
molecular structure
15
quantum chemistry
13
chemical bond
8
molecular rotation
7
transition metal
7
ab initio calculation
6
complex
6
computational chemistry
6
density functional theory
6
excited state
6
molecular dynamics
6
quantum theory
6
charge exchange
5
computer simulation
5
molecular physics
5
Schroedinger equation
4
chemical reaction
4
electronic properties
4
ligand field theory
4
molecular dynamics calculation
4
charge
3
electron
3
fullerenes
3
inorganic complex
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
correlation
2
crystal field
2
electron exchange
2
electron mobility
2
electron spectroscopy
2
electron transport
2
group theory
2
high temperature superconductor
2
interaction
2
ligand
2
mathematical model
2
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