Noncovalent interactions are essential for the existence of solid and liquid phases. 1, 2
Traditionally touted as weak forces, quantification of these interactions, which govern the …

During World War II, organophosphorus compounds with neurotoxic action were developed
and used as the basis for the development of structures currently used as pesticides in the …

We present an atomistic study carried out using density functional calculations including
structural relaxations and Car–Parrinello Molecular Dynamics (CPMD) simulations, aiming …

Some nanoparticles and fluid dispersants that have the capacity to control migrating fines in
formations have been investigated. The primary mechanisms through which fines were …

Oddziaływania niekowalencyjne odgrywają niezwykle istotną rolę w organizmach żywych.
Głównymi oddziaływaniami niekowalencyjnymi występującymi w przyrodzie są …

Non-covalent interactions play an extremely important role in organisms. The main non-
covalent interactions in nature are: ion-ion interactions, dipole-dipole interactions, hydrogen …

This chapter describes the theoretical studies of organoluminum molecules involving one or
more aluminum centers, as well aluminum hydride and halide. Selected systems containing …