Concepedia

Synthesis, bioassay, crystal structure and ab initio studies of Erlenmeyer azlactones

Mehtab Parveen, Akhtar Ali, Sarfaraz Ahmed, Ali Mohammed Malla, Mahboob Alam, Pedro Silva, Manuela Ramos Silva, Dong‐Ung Lee

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 46 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

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

, , +16

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17