Computational Chemistry /

Bisht, T.N

Computational Chemistry / T.N. Bisht - New Delhi ; Sonali Publications ; c2012. - 271 p, 23 cm.

1.Model Systems of Statistical Mechanics 2. Monte Carlo Methods 3. Molecular Dynamics 4. Ensembles 5. Free Energy Methods 6. Matter 7. VASP 8. Theory of Band Parameters 9. Equilibrium Dynamics 10. Monte Carlo Application 11. Finite Difference Method 12. Molecular Dynamics Simulations of Hydrophobic Solutes 13. Atmospheric Chemistry of Hydrocarbons

9788184114287

540.151

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