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The present work has been directed at studying the structures and stabilization energetics of different conformers of the ground state He 2 I 2 cluster. The full interaction between I 2 molecule and the He atoms is obtained from a sum-of-potentials scheme, using an analytical He–I 2 potential parametrized to ab initio calculations plus the He–He interaction. Quantum...
We extend previous work on nitric acid–ammonia and nitric acid–alkylamine complexes to illustrate that proton exchange reaction coordinates involve the rocking motion of the base moiety in many double hydrogen-bonded gas phase strong acid–strong base complexes. The complexes studied involve the biologically and atmospherically relevant glycine, formic, acetic, propionic, and sulfuric acids with ammonia/alkylamine...
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