Concepedia

The structural stability of polyhydroxylated C60(OH)24: Density functional theory characterizations

Hongqing He, Li‐Min Zheng, Peng Jin, Minghui Yang

Computational and Theoretical Chemistry · 2011 · 37 citations · 29 references

DOI

Concepts

References

29

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

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

, , +5

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.9K citations

, , +7

Semi-direct algorithms for the MP2 energy and gradient

Michael J. Frisch, Martin Head‐Gordon, John A. Pople · Chemical Physics Letters · 1990 · 1.3K citations

, , +6

Carboxyfullerenes as neuroprotective agents

Laura L. Dugan, Dorothy M. Turetsky, Cheng Du et al. · Proceedings of the National Academy of Sciences · 1997 · 745 citations

, , +17