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Active Project

Deprotonation of organic molecules in solution: study of the reaction mechanism and rate by modern techniques for simulating rare events in combination with ab-initio molecular dynamics.

Project details

Project title: Deprotonation of organic molecules in solution: study of the reaction mechanism and rate by modern techniques for simulating rare events in combination with ab-initio molecular dynamics.
Project code: ndphy022a
Project class: A

Start date: Thursday 10 February 2011
End date: Monday 10 February 2014

People

Project PI: Dr. Simone Meloni
Number of users: 2-5
Registered users: 8

Resulting publications

Allocated resources

  Fionn Stokes Stoney
CPU (hours) 0 3145000 0
Storage (GB.Year) 0 1500 0

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