Atmospheric Implications for Formation of Clusters of Ammonium and One to Ten Water Molecules
A mixed molecular dynamics/quantum mechanics model has been applied to the ammonium water clustering system. The use of the high level MP2 calculation method and correlated basis sets such as aug-cc-pVDZ and aug-cc-pVTZ lends confidence in the accuracy of the extrapolated energies. These calculation...
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| Published in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 114; no. 12; pp. 4266 - 4271 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
01-04-2010
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| Online Access: | Get full text |
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