Concepedia

Configuration and molecular structure of 5-chloro-N-(4-sulfamoylbenzyl) salicylamide derivatives

Alaaeldin M F Galal, Diaa Atta, A. Abouelsayed, Medhat Ibrahim, Atef G. Hanna

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019 · 45 citations · 36 references

DOI

Concepts

References

36

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

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

Effects of Configuration Interaction on Intensities and Phase Shifts

U. Fano · Physical Review · 1961 · 11.1K citations

, , +14

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

B. Miehlich, Andreas Savin, Hermann Stoll · Chemical Physics Letters · 1989 · 7.3K citations

, , +12