Concepedia

Predicting water solubility of congeners: Chloronaphthalenes—A case study

Tomasz Puzyn, Aleksandra Mostrąg, Jerzy Falandysz, Yana Kholod, Jerzy Leszczyński

Journal of Hazardous Materials · 2009 · 44 citations · 15 references

DOI

Concepts

References

15

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

Principles of QSAR models validation: internal and external

Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.2K citations · Full text

, , +13

Fast solvent screening via quantum chemistry: COSMO‐RS approach

Frank Eckert, Andreas Klamt · AIChE Journal · 2002 · 1.8K citations · Full text

, , +17

Relationship between bioconcentration in fish and steric factors of hydrophobic chemicals

Antoon Opperhulzen, Els W.v.d. Volde, Frank A. P. C. Gobas et al. · Chemosphere · 1985 · 351 citations

, , +12