Concepedia

A new supramolecular compound of chrome(III): Synthesis, spectroscopic characterization, X-ray crystal structure, DFT, and solution studies

Hossein Eshtiagh‐Hosseini, Z. Yousefi, Masoud Mirzaei, Ya-Guang Chen, S. Ali Beyramabadi, Ardeshir Shokrollahi, R. Aghaei

Journal of Molecular Structure · 2010 · 25 citations · 31 references

DOI

Concepts

References

31

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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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

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

Natural hybrid orbitals

J. P. Foster, Frank Weinhold · Journal of the American Chemical Society · 1980 · 5K citations

, , +10

The Salt−Cocrystal Continuum:  The Influence of Crystal Structure on Ionization State

S.L. Childs, G. Patrick Stahly, Aeri Park · Molecular Pharmaceutics · 2007 · 1K citations · Full text

, , +17