New Chemistry in Gaussian 16 Gaussian 16 expands the range of molecules and types of chemical problems that you can model. More...

Oct 14, 2019 · All versions of Gaussian 16 contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and …

Oct 25, 2018 · With GaussView, you can build or import the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and view the predicted results …

Mar 11, 2022 · Gaussian locates executables and creates scratch files in directories specified by several environment variables. The user is responsible for defining two of them:

GaussView 6 is the latest iteration of a graphical interface used with Gaussian. It aids in the creation of Gaussian input files, enables the user to run Gaussian calculations from a …

Jul 23, 2019 · In general, we recommend citing the original references describing the theoretical methods used when reporting results obtained from Gaussian calculations, as well as giving …

Jul 5, 2017 · Gaussian 16 provides state-of-the-art performance in single CPU, multiprocessor and multicore, cluster/network and GPU computing environments. Setting up calculations is …

Mar 11, 2022 · GaussView makes it easy to examine the results of one calculation and then set up and initiate the next calculation in sequence via an intuitive interface to all major Gaussian …

Aug 30, 2022 · The UltraFine integration grid (corresponding to Integral=UltraFine) is the default in Gaussian 16. This grid greatly enhances calculation accuracy at reasonable additional cost. …

Aug 31, 2022 · This properties keyword controls printing of molecular orbitals and several types of population analysis and atomic charge assignments. The default is to print just the total atomic …