Main

Fields of interest:

• Theory and computer simulation on the reactions
• Energy transfer and dynamics of polyatomic molecules

Recent publications:
D.C. Clary:
Torsional diffusion Monte Carlo: A method for quantum simulations of proteins,
J. Chem. Phys., 114, 9725 (2001).

A.J.H.M. Meijer, A.J.Farebrother, D.C. Clary, A.J. Fisher:
Time-dependent quantum mechanical calculations on the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism,
J. Phys. Chem. A, 105, 2173 (2001).

E. Buonomo, D.C. Clary:
A quantum study on the reaction between C(3P) and acetylene,
J. Phys. Chem A 105, 2694 (2001).

D. C. Clary, D. M. Benoit, T. van Mourik:
H-densities: a new concept for hydrated molecules,
Acc. Chem. Res. 33, 441 (2000).