The hydrogen bond strength: New proposals to evaluate the intermolecular interaction using DFT calculations and the AIM theory

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

Calculation of the average properties of atoms in molecules. II

Friedrich Biegler‐König, Richard F. W. Bader, Ting‐Hua Tang · Journal of Computational Chemistry · 1982 · 1.3K citations

Natural Sciences, Chemistry, Physics +17

Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity

R. F. W. Bader, Preston J. MacDougall, C. D. H. LAU · Journal of the American Chemical Society · 1984 · 583 citations

Natural Sciences, Chemistry, Inorganic Chemistry +11

Identifying and Analyzing Intermolecular Bonding Interactions in van der Waals Molecules

Richard G. A. Bone, Richard F. W. Bader · The Journal of Physical Chemistry · 1996 · 428 citations

Natural Sciences, Chemistry, Physics +16

An estimation of strength of intramolecular hydrogen bonds — ab initio and AIM studies

Sławomir J. Grabowski · Journal of Molecular Structure · 2001 · 240 citations

Natural Sciences, Chemistry, Physics +16