Concepedia

Structure and vibrational assignment of bis(benzoylacetonato)copper(II)

Mohammad Vakili, Sayyed Faramarz Tayyari, Mahnoosh Hakimitabar, Abdo‐Reza Nekoei, Saeideh Kadkhodaei

Journal of Molecular Structure · 2013 · 34 citations · 32 references

DOI

Concepts

References

32

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

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

, , +13

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

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations

, , +8

Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

Benedetta Mennucci, Jacopo Tomasi · The Journal of Chemical Physics · 1997 · 2.8K citations

, , +14

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

, , +11