Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5374643 | Chemical Physics | 2011 | 9 Pages |
Abstract
⺠A methodology for predicting properties of prototypical intermolecular interactions. ⺠Generation of compound-model morphed potential with radial shifting for OC-HF. ⺠Near spectroscopic accuracy for fitted rovibrationally resolved database. ⺠Only four adjustable parameters required in optimization to experimental data. ⺠Direct comparison of results with ab initio potentials.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Luis A. Rivera-Rivera, Zhongcheng Wang, Blake A. McElmurry, Robert R. Lucchese, John W. Bevan, Guido Kanschat,