Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …

The nature of the anion− π interaction has been investigated by carrying out high level ab
initio calculations of the complexes of halide (F-, Cl-, and Br-), linear organic (CN-, NC-), and …

The nature of the cation− π interaction has been examined by carrying out high level ab
initio calculations of both metallic (Li+, Na+, K+, and Ag+) and organic (NH4+, C (NH2) 3+ …

Theoretical and experimental studies have recently attempted to investigate the role of
molecular complexes in the Earth's atmosphere. The extent to which these weakly bound …

We have carried out a detailed investigation of the nature of the π-H interaction in the ethene–
H 2 O, benzene–H 2 O, and benzene–(H 2 O) 2 complexes using large basis sets (ranging …

The structures and binding energies of a series of C− H⊙⊙⊙ X hydrogen-bonded
complexes involving acetylene, ethylene, and ethane as proton donors and the first-and …

The water dimer has been the subject of many investigations using matrix isolation
techniques, I-II molecular beam spectroscopy, 12-15 ab initio quantum mechanical …

Ab initio calculations are carried out on the H2O... N2, H2O... H2, and H2O... CO complexes.
Infrared spectra of the complexes are investigated, with an emphasis on the effect of weak …

Hydrogen-bonded H⊙⊙⊙ π complexes of C2H2 and C2H4 were studied both
computationally and experimentally. Computationally, C2H2-C2H4 clusters ranging from 1 …

The structure and dynamics of aqueous solvation of ethanol and ethylene are studied by
density functional theory based Car–Parrinello molecular dynamics. We did not find an …