Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Couplings
Protons
3
Vicinal coupling constants
3
DFT/B3LYP
2
Equilibrium geometries
2
Ethane
2
Karplus equation
2
Molecular geometries
2
Vibrational contributions
2
Accurate prediction
1
Acetylene
1
Basis sets
1
Complexation
1
Computational precision
1
Correlation coefficient
1
Cyclohexanes
1
Data acquisition
1
Data sets
1
Equilibrium configuration
1
Ethylene
1
Fermi contact term
1
Fourier series
1
Geometry
1
Lighting
1
Mathematical models
1
Norbornane
1
Normal coordinate
1
Nuclear coordinates
1
Numerical precision
1
Optimization
1
-
1
-
2
-
3