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 …

Benzene is the emblematic example of an aromatic molecule, and the problem of its
structure has given rise to a chemical serial story running over several decades. The …

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to
chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing …

The interacting quantum atoms approach [IQA, as presented by Blanco et al, J. Chem.
Theory Comput. 1, 1096 (2005)] is applied to standard hydrogen bonded dimers. IQA is an …

Chemists have been fascinated for a long time with electron delocalization in covalently
linked molecules, and especially with the prototypical phenomenon of aromaticity. Even …

The complexes between BeX2 (X= H, F, Cl, OH) with different Lewis bases have been
investigated through the use of B3LYP, MP2, and CCSD (T) approaches. This theoretical …

Charge-assisted hydrogen bonds (CAHBs) of N–H··· Cl, N–H··· Br, and P–H··· Cl type were
investigated using advanced computational approach (MP2/aug-cc-pVTZ level of theory) …

Cocrystallization is an old technique and remains the focus of several research groups
working in the field of Chemistry and Pharmacy. This technique is basically in field for …

The secondary electrostatic interaction (SEI) model is often used to predict and explain
relative hydrogen bond strengths of self-assembled systems. The SEI model oversimplifies …

Latimer and Rodebush first described hydrogen bonding in 1920. It occurs when an atom of
hydrogen is attracted by strong forces to two atoms instead of only one, as its single valence …