Vibrational properties of silicates: A cluster model able to reproduce the effect of “SiO4” polymerization on Raman intensities

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Basis Set Exchange:  A Community Database for Computational Sciences

Karen Schuchardt, Brett Didier, Todd Elsethagen et al. · Journal of Chemical Information and Modeling · 2007 · 3.1K citations

Natural Sciences, Chemistry, Materials Science +7

The role of databases in support of computational chemistry calculations

David Feller · Journal of Computational Chemistry · 1996 · 2.6K citations

Natural Sciences, Chemistry, Computer Science +10

Property-optimized Gaussian basis sets for molecular response calculations

Dmitrij Rappoport, Filipp Furche · The Journal of Chemical Physics · 2010 · 2K citations

Natural Sciences, Chemistry, Physics +10

The structure of vitreous silica

R. L. Mozzi, Β. E. Warren · Journal of Applied Crystallography · 1969 · 1.4K citations

Natural Sciences, Materials Science, Physics +14