Concepedia

Structural activity, fungicidal activity and molecular dynamics simulation of certain triphenyl methyl imidazole derivatives by experimental and computational spectroscopic techniques

G.P. Sheeja Mol, D. Aruldhas, I. Hubert Joe, S. Balachandran, A. Ronaldo Anuf, Jesby George, Anuroopa G. Nadh

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018 · 28 citations · 24 references

DOI

Concepts

References

24

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

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

, , +13

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

The protein data bank: A computer-based archival file for macromolecular structures

F. C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology · 1977 · 8.6K citations

, , +14

cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

DrugBank: a comprehensive resource for in silico drug discovery and exploration

David S. Wishart · Nucleic Acids Research · 2005 · 4K citations · Full text

, , +17