Concepedia

Formation of H2SO4 from SO3 and H2O, catalysed in water clusters

Elena Akhmatskaya, C. J. Apps, Ian H. Hillier, Andrew J. Masters, N. E. Watt, J. Christopher Whitehead

Chemical Communications · 1997 · 19 citations · 4 references

DOI

Concepts

Abstract

Computer simulations predict the facile conversion of SO3 to H2SO4 in small water clusters having in excess of about twelve solvent molecules, in line with experiment.

References

4

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

, , +17

Ab initio Molecular Orbital Study of the Mechanism of the Gas Phase Reaction SO3 + H2O: Importance of the Second Water Molecule

Keiji Morokuma, Chizuru Muguruma · Journal of the American Chemical Society · 1994 · 283 citations

, , +12

Adsorption of Organic Molecules on Large Water Clusters

M. Ahmed, C. J. Apps, C. Hughes et al. · The Journal of Physical Chemistry A · 1997 · 23 citations

, , +17

Adsorption of N<i><sub>x</sub></i>O<i><sub>y</sub></i>-Based Molecules on Large Water Clusters:  An Experimental and Theoretical Study

M. Ahmed, C. J. Apps, Robert Buesnel et al. · The Journal of Physical Chemistry A · 1997 · 13 citations

, , +17