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...
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 current required citation for Gaussian 03 is the following (presented here in three formats for convenient cutting and pasting). Note that this is an updated list with respect to that printed out by earlier revisions of the program, but it applies to every...
Note that you should replace Revision A.02 with the identifier for the revision of the program that you actually used. Gaussian 09, Revision A.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A....
Ever wonder what’s in some of the numerous checkpoint files you have accumulated or which checkpoint file of several is the one you want? The chkchk utility will show you information about the job that created a checkpoint file. The first two extracted items in...
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