Congratulations to Professor Edward Brothers on his election as a Fellow of the UK Royal Society of Chemistry (FRSC). Professor Brothers teaches in the Science Program at Texas A&M University at Qatar. After receiving his Ph.D. in 2004 from the Pennsylvania State...
Gustavo Scuseria, the Robert A. Welch Professor of Chemistry and a professor of physics and astronomy and of materials science and nanoengineering at Rice University, is the winner of the 2022 American Chemical Society (ACS) Award in Theoretical Chemistry. The award...
When considering molecular orbitals, it is often useful to examine the contributions of the individual atomic orbitals. Gaussian can provide this information as part of the population analysis. Specifically, orbital-by-orbital population analysis is requested with the...
Gaussian offers many pre-defined solvents, which are specified as keywords to the SCRF=Solvent option. In order to specify a solvent not included in this set, it is generally only necessary to specify the value of its dielectric constant ε using additional...
There are several ways to customize the toolbar based upon what will be most convenient for you. One of the most basic ways to customize this apparatus is through changing the icon sizes. You can accomplish this by going to File → Preferences → Icons, which...
Many real life research projects involve running a large number of related Gaussian jobs, often in several phases. For example, you may optimize a group of molecules and then predict spectra for a subset of them. Organizing such a project typically involves keeping...
