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Molecular dynamics
Computational methods
4
Atoms
3
Density functional theory
2
Derivatives
2
Diamagnetism
2
Electric dipole
2
Electronic wave functions
2
Genetic algorithms
2
Hypermagnetizability
2
Magnetic anisotropy
2
Magnetic field effects
2
Magnetic shielding
2
Magnetic susceptibility
2
Molecular polarizabilities
2
Molecules
2
Natural frequencies
2
Nonlinear response
2
Nuclear magnetic resonance
2
Nuclear magnetic shielding
2
Perturbation techniques
2
Polarization
2
Probability density function
2
Quantum theory
2
Substitution reactions
2
Tensors
2
Approximation theory
1
Atomic cluster energies
1
Calculations
1
Carr Parinello molecular dynamics code
1
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