Concepedia

Theoretical prediction of chloroform, ethanol, water and DMSO effects on electronic characteristics of Capecitabine different conformers as an anticancer chemotherapy drug

Mehdi Yoosefian, Adeleh Mola, Hossein Hajiabadi, Rouhollah Amiri Delouei, Seyyed Moslem Mahdavi Shahri

Journal of Molecular Liquids · 2018 · 22 citations · 30 references

DOI

Concepts

References

30

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

Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

Enrique Espinosa, Elı́es Molins, Claude Lecomte · Chemical Physics Letters · 1998 · 3.5K citations

, , +16

Hydrogen bonding in biological structures

International Journal of Biochemistry · 1992 · 2.4K citations

, , +14

A Bond Path:  A Universal Indicator of Bonded Interactions

R. F. W. Bader · The Journal of Physical Chemistry A · 1998 · 1.7K citations

, , +17

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies

Chang‐Guo Zhan, Jeffrey A. Nichols, David A. Dixon · The Journal of Physical Chemistry A · 2003 · 1.5K citations

, , +17