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- W2378780717 abstract "Ab initio calculations have been carried out on nH2O….mNH3 hydrogen-bonded clusters. Their assumed structures have been optimized at the HF/6-31 + G (d, p) and MP2/6 -31 + G (d, p) levers and interaction energies have been compared. The computation shows that the geometry 1A of H2O…N.H3 hydrogen-bonded cluster is in good agreement with those of the experiments." @default.
- W2378780717 created "2016-06-24" @default.
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- W2378780717 date "2002-01-01" @default.
- W2378780717 modified "2023-09-25" @default.
- W2378780717 title "Ab Initio Study on nH_2O…mNH_3 Hydrogen-bonded Clusters" @default.
- W2378780717 hasPublicationYear "2002" @default.
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