Prof. Benedetta Mennucci Awarded ERC Advanced Grant

We are very pleased to congratulate Gaussian collaborator Benedetta Mennucci, Professor of Chemistry at the Università di Pisa on being awarded an Advanced Grant by the European Research Council. Prof. Mennucci was one of only 11 Italian researchers, and the...

What is the Structure of FOX-7 Dimer?

by Æleen Frisch and Michael J. Frisch FOX-7 is an explosive compound first synthesized in 1998 [Ostmark98, Bemm98, Latypov98] by the Swedish National Defense Research Institute, now the Swedish Defense Research Agency (FOI). This compound is a result of the...

The Journal of Physical Chemistry’s Top 25 Cited Articles

In commemoration of its 120th anniversary, The Journal of Physical Chemistry recently announced a list of its top 25 cited articles. Papers by several of Gaussian’s developers (whose names are in bold) appear in the collection: #2: “Ab Initio Calculation...

Marco Caricato receives NSF Career Award

Marco Caricato was recently presented with the prestigious Faculty Early Career Development Award from the National Science Foundation (NSF), the highest honor from the NSF to junior researchers. Formerly a research scientist at Gaussian, Inc., Caricato has been an...

Frequently Asked Questions & Tips

FAQs How can I get a breakdown of the SCF or DFT energy into all its component parts? How can I restart a job that was interrupted? My optimization converged but the frequency calculation said it wasn’t. What’s up? How do I generate Natural Transition...