Concepedia

DFT theoretical, X-ray diffraction and IR matrix-isolated studies on 4-chloro-2′-hydroxy-4′-ethoxyazobenzene

J. Pająk, Riet Ramaekers, Guido Maes, Tadeusz Głowiak, L. Sobczyk

Chemical Physics · 2002 · 20 citations · 28 references

DOI

Concepts

References

28

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

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields

Guntram Rauhut, Péter Pulay · The Journal of Physical Chemistry · 1995 · 1.9K citations

, , +10

Evidence for resonance-assisted hydrogen bonding from crystal-structure correlations on the enol form of the .beta.-diketone fragment

Gastone Gilli, Fabrizio Bellucci, V. Ferretti et al. · Journal of the American Chemical Society · 1989 · 1.1K citations

, , +11