Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 117, Issue 32, Pages 7606-7611Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp404541c
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Funding
- NSF [CHE1111235]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1111235] Funding Source: National Science Foundation
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The quantum Monte Carlo method is used to calculate the binding energy of an (H2O)(16) cluster that has been the subject of several recent theoretical studies. The resulting interaction energy, -165.1(8) kcal/mol, is very close to our MP2 complete basis set limit interaction energy of -164.1 kcal/mol. Comparison of these results with those for the one-, two-, three-, and four-body interaction energies leads us to conclude that the five- and higher-body interactions are attractive, contributing over 2 kcal/mol to the net interaction energy of this (H2O)(16) isomer.
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