Concepedia

A new fundamental type of conformational isomerism

P.J. Canfield, Iain M. Blake, Zheng-Li Cai, Ian J. Luck, Elmars Krausz, Rika Kobayashi, Jeffrey R. Reimers, Maxwell J. Crossley

Nature Chemistry · 2018 · 73 citations · 60 references

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60

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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

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Toward a systematic molecular orbital theory for excited states

James B. Foresman, Martin Head‐Gordon, John A. Pople et al. · The Journal of Physical Chemistry · 1992 · 2.4K citations

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