Concepedia

DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O

M. Alcolea Palafox, Paloma Posada-Moreno, A. L. Villarino-Marín, Carmen Martínez-Rincón, Ismael Ortuño‐Soriano, Ignacio Zaragoza‐García

Journal of Computer-Aided Molecular Design · 2010 · 23 citations · 42 references

DOI

Concepts

References

42

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

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

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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

Global prevalence of dementia: a Delphi consensus study

Cleusa P. Ferri, Martin Prince, Carol Brayne et al. · The Lancet · 2005 · 5.3K citations · Full text

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Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure

John E. Carpenter, Frank Weinhold · Journal of Molecular Structure THEOCHEM · 1988 · 2.1K citations

, , +11

J. Mol. Struct. (Theochem)

Ranbir Singh, Bimalendu Deb · Journal of Molecular Structure THEOCHEM · 1996 · 1.8K citations

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