Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5386432 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
A range of ab initio methods and basis sets have been tested to find a suitable method for the calculation of conformationally weighted dipole moments.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anna L. Garden, Fabien Paulot, John D. Crounse, Isobel J. Maxwell-Cameron, Paul O. Wennberg, Henrik G. Kjaergaard,