Found 2 results
Filters: author is VanVoorhis
2006
Constrained Density Functional Theory and Its Application in Long-Range Electron Transfer,
, J. Chem. Theory Comput., May 9, 2006, Volume 2, Issue 3, p.765-774, (2006)
Direct Calculation of Electron Transfer Parameters through Constrained Density Functional Theory,
, J, Phys. Chem. B,, July 27, 2006, Volume 110, Issue 29, p.9212-9218, (2006)