Theoretical study of dihydrogen bonded clusters of water with tetrahydroborate

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

Study of the N−H···H−B Dihydrogen Bond Including the Crystal Structure of BH₃NH₃ by Neutron Diffraction

Wim T. Klooster, Thomas F. Koetzle, Per E. M. Siegbahn et al. · Journal of the American Chemical Society · 1999 · 483 citations

Natural Sciences, Chemistry, Crystal Structure +14

Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles

Sotiris S. Xantheas, Christian J. Burnham, Robert J. Harrison · The Journal of Chemical Physics · 2002 · 396 citations

Natural Sciences, Chemistry, Physics +17

Cooperativity in Hydrogen-Bonded Interactions:  Ab Initio and “Atoms in Molecules” Analyses

Marcin Ziółkowski, Sławomir J. Grabowski, Jerzy Leszczyński · The Journal of Physical Chemistry A · 2006 · 390 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Anti-hydrogen bond between chloroform and fluorobenzene

Pavel Hobza, V. S̆pirko, Zdeněk Havlas et al. · Chemical Physics Letters · 1999 · 281 citations

Natural Sciences, Chemistry, Organic Chemistry +9