Concepedia

Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol

Zeynep Demi̇rci̇oğlu, Orhan Büyükgüngör

Journal of Molecular Structure · 2015 · 325 citations · 60 references

DOI

Concepts

References

60

<i>WinGX</i>suite for small-molecule single-crystal crystallography

Louis J. Farrugia · Journal of Applied Crystallography · 1999 · 18.9K citations

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Structure validation in chemical crystallography

Anthony L. Spek · Acta Crystallographica Section D Biological Crystallography · 2009 · 15.3K citations · Full text

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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

, , +16

Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

Joel Bernstein, R. Davis, Liat Shimoni et al. · Angewandte Chemie International Edition in English · 1995 · 8.2K citations

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Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

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