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Abstract published in Advance ACS Abstracts, April 1, 1995. 0022-365419512099-7 1 14$09.0010 oscillator approach will account for guest-water interactions as well as effects of guest movements on the chemical potential of water. In this work we extend these studies to simplified models of some larger molecules filling the large cavity of structure I. As in previous studies guest molecules are still modeled as spherical Lennard-Jones 12-6 particles. Chosen parameters correspond to previously published parameters applied to represent proper- ties of methane, ethane, ethylene, and carbon dioxide. Calcula- tions have been performed for several temperatures in the region of experimentally measured equilibrium between hydrate and ice, Le., up to a temperature of 273.15 K. A brief summary of the theory is given in section 2. The results obtained from the harmonic oscillator approach and the single-particle integrations are summarized in section 3. Cal- culated dissociation pressures for hydrate in equilibrium with ice are presented in section 4 and compared to experimental data. In section 5 we extrapolate these data to the region of hydrate in equilibrium with liquid water and compare derived results with experimental data. In section 6 we present some calculations for binary mixtures. Our conclusions are given in section 7.

Abstract published in Advance ACS Abstracts, April 1, 1995. 0022-365419512099-7 1 14$09.0010 oscillator approach will account for guest-water interactions as well as effects of guest movements on the chemical potential of water. In this work we extend these studies to simplified models of some larger molecules filling the large cavity of structure I. As in previous studies guest molecules are still modeled as spherical Lennard-Jones 12-6 particles. Chosen parameters correspond to previously published parameters applied to represent proper- ties of methane, ethane, ethylene, and carbon dioxide. Calcula- tions have been performed for several temperatures in the region of experimentally measured equilibrium between hydrate and ice, Le., up to a temperature of 273.15 K. A brief summary of the theory is given in section 2. The results obtained from the harmonic oscillator approach and the single-particle integrations are summarized in section 3. Cal- culated dissociation pressures for hydrate in equilibrium with ice are presented in section 4 and compared to experimental data. In section 5 we extrapolate these data to the region of hydrate in equilibrium with liquid water and compare derived results with experimental data. In section 6 we present some calculations for binary mixtures. Our conclusions are given in section 7.

Abstract The dynamics of isolated-photon plus two-jet production in pp collisions at a centre-of-mass energy of 13 TeV are studied with the ATLAS detector at the LHC using a dataset corresponding to an integrated luminosity of 36.1 fb−1. Cross sections are measured as functions of a variety of observables, including angular correlations and invariant masses of the objects in the final state, γ + jet + jet. Measurements are also performed in phase-space regions enriched in each of the two underlying physical mechanisms, namely direct and fragmentation processes. The measurements cover the range of photon (jet) transverse momenta from 150 GeV (100 GeV) to 2 TeV. The tree-level plus parton-shower predictions from Sherpa and Pythia as well as the next-to-leading-order QCD predictions from Sherpa are compared with the measurements. The next-to-leading-order QCD predictions describe the data adequately in shape and normalisation except for regions of phase space such as those with high values of the invariant mass or rapidity separation of the two jets, where the predictions overestimate the data.