Repositorios 4

Probability density function 140 Quantum theory 30 Mathematical models 24 Computer simulation 20 Density functional theory 20 Molecular dynamics 18 Hamiltonians 14 Molecular structure 14 Probability distributions 14 Adsorption 12 Approximation theory 12 Electronic structure 12 Perturbation techniques 12 Statistical methods 12 article 12 Atoms 10 Computer Simulation 10 Genetic algorithms 10 Monte Carlo methods 10 Numerical analysis 10 Random processes 10 Thermodynamics 10 Global optimization 8 Helium 8 Hydrogen bonds 8 Intermittency 8 Kinetics 8 Models, Chemical 8 Nuclear magnetic resonance 8 Solvents 8