Concepedia

Structural elucidation of 4′-epiadriamycin by nuclear magnetic resonance spectroscopy and comparison with adriamycin and daunomycin using quantum mechanical and restrained molecular dynamics approach

Ritu Barthwal, Prashansa Agrawal, A. N. Tripathi, Uma Sharma, N. R. Jagannathan, Girjesh Govil

Archives of Biochemistry and Biophysics · 2008 · 11 citations · 39 references

DOI

Concepts

References

39

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

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Density-functional theory of atoms and molecules

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

, , +12

Density Functional Theory of Electronic Structure

W. Kohn, Axel D. Becke, Robert G. Parr · The Journal of Physical Chemistry · 1996 · 3.4K citations

, , +17