Solvent effects on the structures of the neutral ammonia clusters
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DOI: 10.1016/j.comptc.2020.113042
Abstract: Abstract Understanding the solvation processes is subjected to the understanding of the clusters of the solvent molecule that constitute the solution. The description of proton transfer and ion diffusion processes in ammonia depends on the… read more here.
Keywords: neutral ammonia; ammonia clusters; structures neutral; effects structures ... See more keywords
Understanding the Hydrogen-Bonded Clusters of Ammonia (NH3)n (n = 3–6): Insights from the Electronic Structure Theory
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DOI: 10.1021/acsomega.0c04274
Abstract: Although it is well known that hydrogen bonds commonly exist in ammonia clusters and play an important role, there are still many challenges in understanding the electronic structure properties of hydrogen bonds. In this paper,… read more here.
Keywords: theory; hydrogen bonds; electronic structure; ammonia clusters ... See more keywords
Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid–Ammonia Clusters
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DOI: 10.1021/acsomega.1c07303
Abstract: Sulfuric acid and ammonia are believed to account for a large fraction of new-particle formation in the atmosphere. However, it remains unclear how small clusters grow to larger sizes, eventually ending up as stable aerosol… read more here.
Keywords: binding free; acid ammonia; acid; ammonia clusters ... See more keywords
Stabilization of benzene radical anion in ammonia clusters
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DOI: 10.1039/d2cp02979k
Abstract: We investigate electron attachment to large ammonia clusters doped with a single benzene (Bz) molecule (NH3)N·Bz, N̄ ≈ 320. Negatively charged clusters are probed by mass spectrometry, and the energy-dependent ion yields are derived from… read more here.
Keywords: nh3 ions; nh3 molecule; ammonia clusters; energy ... See more keywords