Angewandte Chemie International Edition
© WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
August 07, 2008
Discussion: More Realism in the Matter of Predicting Molecules?
When the above-mentioned Essay by R. Hoffmann, P. v. R. Schleyer and H. F. Schaefer III hit the editor's desk, it was clear that the decision was not going to be an easy one. The manuscript was certainly thought-provoking and, obviously, well written. In essence, the authors appeal to their fellow scientists to present their data in a fashion suitable for the intended audience. For example, it should be clear as to what kind of stability is meant when they write about stable compounds. But is it suitable for Angewandte Chemie? Or rather for a more general magazine-type journal, or a membership newsletter?
At the end of the day, and after much discussion with the authors, referees, and the Chairman of the Editorial Board, we decided to publish the manuscript along with the referees' comments and to invite even more comments from the readers.
Please join our debate page to read
- Hoffmann et al's essay: "Predicting Molecules—More Realism, Please!"
- The referee reports by M. Bickelhaupt, G. Frenking, W. Koch, and M. Reiher and
- Readers' comments, most recently by Sason Shaik, who looks at the bigger picture.
If you have thoughts on this issue, whether brief or detailed, please e-mail them to us at email@example.com, and we will post them here.