A collection of papers/webpages/ blogs/lecture slides/etc… that I’ve amassed over the years (in no particular order)
The Basis Set Exchange: A public library of basis sets maintained by MolSSI (Virginia Tech) and Environmental Molecular Sciences Laboratory (PNNL)
Read more about it!
J.C. Corchado and D.G. Truhlar on Dual-Level Methods for Electronic Structure Calculations
Frank Jensen talking about the Pople basis sets on Stack Exchange
Seminar slides from Mikael Johansson of the University of Helsinki on wave function methods and DFT
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals by Narbe Mardirossian and Martin Head-Gordon Molecular Physics, 2017, 115 (19), 2315
This review provides a comprehensive benchmarking of over 200 DFT functionals over several datasets representing different computational datatypes.
Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent Interactions Involving Anions? by Antonio Bauzá, David Quiñonero, Pere M. Deyà, and Antonio Frontera
J. Phys. Chem. A 2013, 117 (12), 2651
Discussion on the necessity of diffuse basis functions in anionic calcualtions
Common Gaussian error messages
The blog of Dr. Joaquin Barroso-Flores (Instituto de Química, UNAM, Mexico City, MX)
Incredibly helpful for general troubleshooting
Group meeting slides from Steven McKerrall (Baran Lab, TSRI, CA, USA)
Computational Chemistry 2 by Prof. Hendrik Zipse (LMU, Munich, DE)
Advanced topics in computational chemistry