Concepedia

Computational study of noncovalent interactions within the various complexes of para aminosalicylic acid and Cr2+, Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+ cations: exploration of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Fahimeh Alirezapour, Azadeh Khanmohammadi

Theoretical Chemistry Accounts · 2020 · 15 citations · 53 references

DOI

Concepts

References

53

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

, , +3

Principles that Govern the Folding of Protein Chains

Christian B. Anfinsen · Science · 1973 · 7.1K citations

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An introduction to hydrogen bonding

Choice Reviews Online · 1998 · 6.3K citations

, , +17