Ab initio molecular dynamics : basic theory and advanced methods

Míreanna Comhchosúla

• Ab initio molecular dynamics: basic theory and advanced methods
  le: Hutter, Jurg; Author, et al.
  Foilsithe: (2009)
• Ab initio molecular dynamics : basic theory and advanced methods /
  le: Marx, Dominik
  Foilsithe: (2009)
• Ab initio molecular orbital theory /
  le: Hebre, Warren J.
  Foilsithe: (1986)
• AB INITIO MOLECULAR ORBITAL THEORY/
  le: HEHRE,WARREN J;RADOM,LEO;SCHLEYER,PAUL AND POPLE,JOHN A
  Foilsithe: (1986)
• Numerical simulation in molecular dynamics: numerics, algorithms, parallelization, applications
  le: Griebel, Michael
  Foilsithe: (2007)