Thermodynamics of Forming Water Clusters at Various Temperatures and Pressures by Gaussian-2, Gaussian-3, Complete Basis Set-QB3, and Complete Basis Set-APNO Model Chemistries; Implications for Atmospheric Chemistry

The Gaussian-2, Gaussian-3, complete basis set- (CBS-) QB3, and CBS-APNO methods have been used to calculate ΔH° and ΔG° values for neutral clusters of water, (H2O)n, where n = 2−6. The structures are similar to those determined from experiment and from previous high-level calculations. The thermodynamic calculations by the G2, G3, and CBS-APNO methods compare well against the estimated MP2(CBS) limit. The cyclic pentamer and hexamer structures release the most heat per hydrogen bond formed of any of the clusters. While the cage and prism forms of the hexamer are the lowest energy structures at very low temperatures, as temperature is increased the cyclic structure is favored. The free energies of cluster formation at different temperatures reveal interesting insights, the most striking being that the cyclic trimer, cyclic tetramer, and cyclic pentamer, like the dimer, should be detectable in the lower troposphere. We predict water dimer concentrations of 9 × 1014 molecules/cm3, water trimer concentrations of 2.6 × 1012 molecules/cm3, tetramer concentrations of approximately 5.8 × 1011 molecules/cm3, and pentamer concentrations of approximately 3.5 × 1010 molecules/cm3 in saturated air at 298 K. These results have important implications for understanding the gas-phase chemistry of the lower troposphere.

Bucknell Dance Company Fall 1996 Performance

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The Little Metropolis: Religion, Politics, & Spolia

There have been numerous councils throughout the Catholic Church?s history. From the First Council of Nicaea in 325 CE to Vatican II in 1962, only a few centuries have passed without any major church doctrinal change. Following hand in hand with changes in doctrine came the bifurcation of the Christian Church into the Roman CatholicChurch and the Orthodox Church. The first split came in 325 CE with Arianism. Arius of Alexandria and his followers did not agree with the Catholic Church?s viewpoint that the son, Jesus, should be on equal footing with the Father and the Holy Spirit. Constantine the Great brought the Arianism debate to the First Council of Nicaea,which declared Arianism a heretical religion. The following Catholic council?s decisions separated the two Churches even more, eventually creating the formal separation of the Church during the East-West Schism in the middle of the 11th century. Although the twoChurches constantly tried to unite, the Churches hit speed bumps along the way. Eventually, the 1274 Second Council of Lyons officially united the two Churches, even if only for an ephemeral time. At first glance, it might not seem that much resulted from the 1274 Second Council of Lyons. Almost immediately after the council?s ruling, the two Churches split again. Little is known as to why the 1274 Second Council of Lyons ultimately failed in its unification attempt. In this thesis, I will examine the churches of the Little Metropolis at Athens, Merbaka in the Argolid, and Agioi Theodoroi in Athens. In detailing the architectural features of these buildings, I will reconstruct the church building program in association with the 1274 Second Council of Lyons. I will also compare these churchesusing historical sources to keep the sociological, religious, political, and historical context accurate.