Probing carbon micropore size distribution by nucleus independent chemical shift

Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)

K. S. W. Sing · Pure and Applied Chemistry · 1985 · 24.1K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

Natural Sciences, Chemistry, Physics +11

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

Natural Sciences, Chemistry, Nuclear Chemistry +5

Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe

Paul von Ragué Schleyer, Christoph Maerker, Alk Dransfeld et al. · Journal of the American Chemical Society · 1996 · 6.2K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Self-consistent perturbation theory of diamagnetism

R. Ditchfield · Molecular Physics · 1974 · 4.4K citations

Natural Sciences, Chemistry, Physics +13