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Computational Physical Chemistry
of Condensed Phase Systems

Theory
  • Electronic structure of molecules and solids
  • Statistical mechanics of liquids
Method
  • Density functional theory
  • Molecular dynamics simulation
lumo

Lowest unoccupied molecular orbital of an instantaneous configuration of a liquid water system consisting of 256 molecules
Last update: 9 Jan 2014
Contact Address
E-mail: ms284[at]cam.ac.uk (replace [at] by @)
Professor Michiel Sprik, Chemistry Department, Lensfield Rd, Cambridge CB2 1EW, United Kingdom
To go to the Cambridge chemistry department website, or the theory, Modelling and Informatics website.