Wednesday, March 20, 2013

New Manuscript: Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

Our recent endeavour to do 'science in the open' attracted one +Luca De Vico to provide some comments on the manuscript - some of his ideas were incorporated, so thanks for that Luca.

The paper is now submitted to PLoS ONE and you can find that version on arxiv.org. The code was submitted to (and accepted) into GAMESS so in the near future you can use that code too for your own projects. We sure will!
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