Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Couplings
6
Protons
6
Vicinal coupling constants
DFT/B3LYP
4
Equilibrium geometries
4
Ethane
4
Karplus equation
4
Molecular geometries
4
Vibrational contributions
4
Accurate prediction
2
Acetylene
2
Basis sets
2
Complexation
2
Computational precision
2
Correlation coefficient
2
Cyclohexanes
2
Data acquisition
2
Data sets
2
Equilibrium configuration
2
Ethylene
2
Fermi contact term
2
Fourier series
2
Geometry
2
Lighting
2
Mathematical models
2
Norbornane
2
Normal coordinate
2
Nuclear coordinates
2
Numerical precision
2
Optimization
2
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