The standard citation for is required for any published work using this specific version of the software. You should format the reference as follows:
Revisions are fundamentally driven by software QA. Revision C.01 resolves several legacy bugs that caused unexpected terminations ( Error termination via Lnk1e ).
tools make it the ideal version for the modern, script-heavy computational chemistry lab. gaussian 16 revision c.01
To execute a calculation in Gaussian 16 Rev C.01, users must construct an input file (typically ending in .gjf or .com ). Below is a template for a DFT geometry optimization and frequency calculation on a water molecule:
Example of a modern usage context: Studies often utilize Revision C.01 on high-performance computing clusters to perform high-level DFT optimizations, such as PBE1PBE/6-311++G** , while incorporating empirical dispersion (GD3BJ) and solvent models ( SCRF=SMD ) for accurate modeling of complex, functionalized organic compounds. Conclusion The standard citation for is required for any
Gaussian 16 is the industry-standard software suite used by chemists, chemical engineers, biochemists, and materials scientists worldwide to predict and model the properties of molecular systems. Since its initial launch, the software has undergone several iterative updates to enhance performance, fix bugs, and introduce compatibility with evolving hardware architectures.
: Binaries are often specifically built for AVX2-enabled platforms to leverage modern CPU vector instructions. Proper Citation tools make it the ideal version for the
As a final revision, C.01 is the most stable and reliable version of the Gaussian 16 package. The development team has incorporated a comprehensive list of bug fixes from all previous revisions (A.03 and B.01).
In the realm of computational chemistry, few software packages command the respect and widespread adoption of Gaussian. Since its inception, Gaussian has been a cornerstone for researchers modeling molecular electronic structures, reaction pathways, spectroscopic properties, and numerous other quantum chemical phenomena. With each successive version and revision, the software undergoes refinement—bug fixes, performance enhancements, and the introduction of new algorithms.
For researchers, the correct citation for this specific software version is:
: This version supports NVIDIA K40, K80, P100, and V100 boards (12 GB+ memory) and requires CUDA 10.0 drivers.