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Chemical bonds
1
Classical molecular dynamics
1
Degree of decomposition
1
Density functional theory
1
H-bonding interaction
1
Hot compressed water
1
Hot springs
1
Molecular dynamics
1
Phenols
1
Quantum calculation
1
Spectroscopic analysis
1
Spectroscopic studies
1
Time dependent density functional theory calculations
1
UV-Visible spectra
1
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1Materias: “...Time dependent density functional theory calculations...”
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