Hydrogen bonding is an important interaction playing a key role in chemical, physical, and
biochemical processes. 1-4 One can mention numerous examples such as the role of …

The dihydrogen bond an interaction between a transition-metal or main-group hydride (M
H) and a protic hydrogen moiety (H X) is arguably the most intriguing type of hydrogen …

A novel definition for the hydrogen bond is recommended here. It takes into account the
theoretical and experimental knowledge acquired over the past century. This definition …

The term “hydrogen bond” has been used in the literature for nearly a century now. While its
importance has been realized by physicists, chemists, biologists, and material scientists …

The dihydrogen-bonded complexes of methane and its fluoro and chloro derivatives with
lithium hydride are analyzed using ab initio methods as well as the Bader theory. All …

We present here a review of currently available methods for the calculation of indirect
nuclear spin–spin coupling constants, discussing some of the questions and difficulties …

Ab initio calculations at the MP2/6-311++ G (d, p) and MP2/aug-cc-pVDZ//MP2/aug-cc-pVTZ
levels have been performed for the following complexes: H2OH+⊙⊙⊙ HBeH …

Recent trends in theoretical calculations of indirect spin–spin coupling constants covering
the period of May 2003–July 2006 are outlined with the emphasis on the currently used …

Noncovalent interactions of the polyhedral carborane 1‐carba‐closo‐dodecaborane
(CB11H12)− with building blocks of biomolecules, modelled by glycine (GLY), serine (SER) …

Abstract MP2 (full)/6-311++ G (3df, 3pd) calculations were carried out on complexes linked
through various non-covalent Lewis acid–Lewis base interactions. These are: hydrogen …