Concepedia

Ab initio and AIM studies on intramolecular dihydrogen bonds

Sławomir Wojtulewski, Sławomir J. Grabowski

Journal of Molecular Structure · 2003 · 54 citations · 40 references

DOI

Concepts

References

40

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 7K citations

, , +17

Ab initio molecular orbital theory

Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

, , +5

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

Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density

Uwe Koch, Paul L. A. Popelier · The Journal of Physical Chemistry · 1995 · 3.1K citations

, , +12