Exploring DFT Functionals: CAM-B3LYP
Introduction to Density Functional Theory (DFT) Density Functional Theory (DFT) is a widely employed quantum mechanical…
Hybrid Functionals: An Overview
Hybrid Functionals In quantum chemistry, hybrid functionals play a pivotal role in enhancing the accuracy of…
Basic Introduction to Density Functional Theory (DFT), Ab Initio Methods, and Hybrid Functionals
Introduction In the realm of computational chemistry and materials science, understanding the electronic structure of systems…
Resuming Gaussian Calculations: Strategies for Recovering Interrupted Runs
Gaussian jobs generate large amounts of intermediate data that are too enormous for checkpoint files to…
Exploring the Frontier: Journals in Computational Chemistry
In computational chemistry, there are several reputable journals where researchers can publish their work. Here are…
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