About 400 results
Open links in new tab
  1. Gaussian.com | Expanding the limits of computational chemistry

    Gaussian is a registered trademark of Gaussian, Inc. This website has been tested with the current versions of Firefox, Chrome, Safari and Microsoft Edge as of August 2023.

  2. Gaussian 16 | Gaussian.com

    Oct 14, 2019 · Gaussian 16 is licensed for a wide variety of computer systems. All versions of Gaussian 16 contain every scientific/modeling feature, and none imposes any artificial …

  3. Density Functional (DFT) Methods | Gaussian.com

    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. …

  4. Gaussian & GaussView Tutorial Videos | Gaussian.com

    Jul 19, 2019 · The videos in this series are for intermediate to advanced users of Gaussian and GaussView. Each one focuses on a specific Gaussian capability and the GaussView features …

  5. Population | Gaussian.com

    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 …

  6. Citation | Gaussian.com

    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 …

  7. Running Gaussian | Gaussian.com

    Mar 11, 2022 · G16BASIS: The directory which contains files specifying the standard Gaussian internally stored basis sets, as well as some additional basis sets in the form of general basis …

  8. SCRF | Gaussian.com

    Apr 7, 2021 · In Gaussian 16, we use a continuous surface charge formalism that ensures continuity, smoothness and robustness of the reaction field, which also has continuous …

  9. New Chemistry with Gaussian 16 & GaussView 6

    Mar 11, 2022 · Continuing the nearly 40-year tradition of the Gaussian series of electronic structure programs, Gaussian 16 offers new methods and capabilities which allow you to study …

  10. Gaussian Documentation | Gaussian.com

    Gaussian Documentation Gaussian 16 Users Reference Gaussian 16 IOps Reference Gaussian 16 Rev. C.01/C.02 Release Notes List of Gaussian Keywords