Working Paper
Authors
- Hatice Gökcan ,
- Erik A. Vazquez-Montelongo ,
- G. Andres Cisneros
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University of North Texas
Abstract
This new version of LICHEM comprises several new capabilities including a hybrid--parallel implementation of the quadratic string method coupled with restrained MM environment optimization, point-charge and multipolar long--range electrostatic corrections via QM/MM--LREC, a new implementation of QM/GEM and several minor improvements.
Content
Supplementary material
SI-LICHEM-1.1
