A theoretical study of the C–H⋯N hydrogen bond in the methane–ammonia complex

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

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

Natural Sciences, Chemistry, Physics +16

X[mdash ]H[middot][middot][middot][pi ] (phenyl) interactions Theoretical and crystallographic observations

John F. Malone, Catherine M. Murray, M. Charlton et al. · Journal of the Chemical Society Faraday Transactions · 1997 · 305 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Conformation of 1,2-dimethoxyethane from ab initio electronic structure calculations

Richard L. Jaffe, Grant D. Smith, Do Y. Yoon · The Journal of Physical Chemistry · 1993 · 143 citations

Natural Sciences, Chemistry, Physics +14

A Charge Density Analysis of Cationic and Anionic Hydrogen Bonds in a “Proton Sponge” Complex

P. R. Mallinson, Krzysztof Woźniak, Garry T. Smith et al. · Journal of the American Chemical Society · 1997 · 104 citations

Natural Sciences, Chemistry, Physics +17