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Remnants and ejecta of thermonuclear electron-capture supernovae: Constraining oxygen-neon deflagrations in high-density white dwarfs (2018)
Journal Article
Jones, S., Röpke, F. K., Fryer, C., Ruiter, A. J., Seitenzahl, I. R., Nittler, L. R., Ohlmann, S. T., Reifarth, R., Pignatari, M., & Belczynski, K. (2019). Remnants and ejecta of thermonuclear electron-capture supernovae: Constraining oxygen-neon deflagrations in high-density white dwarfs. Astronomy and Astrophysics, 622, Article A74. https://doi.org/10.1051/0004-6361/201834381

The explosion mechanism of electron-capture supernovae (ECSNe) remains equivocal: it is not completely clear whether these events are implosions in which neutron stars are formed, or incomplete thermonuclear explosions that leave behind bound ONeFe w... Read More about Remnants and ejecta of thermonuclear electron-capture supernovae: Constraining oxygen-neon deflagrations in high-density white dwarfs.

Molecules in confinement in clusters, quantum solvents and matrices: general discussion (2018)
Journal Article
Bacic, Z., Benoit, D., Biczysko, M., Bowman, J., Bradforth, S., Burd, T., Chambaud, G., Clary, D., Crépin, C., Dracinsky, M., Felker, P., Fischer, I., Gianturco, F., Hochlaf, M., Kouril, K., Kratochvilova, I., Liu, C., McCoy, A., Miyazaki, J., Mouhib, H., …Zehnacker-Rentien, A. (2018). Molecules in confinement in clusters, quantum solvents and matrices: general discussion. Faraday Discussions, 212, 569-601. https://doi.org/10.1039/c8fd90053a

Precise characterisation of isolated molecules: general discussion (2018)
Journal Article
Bacic, Z., Benoit, D., Besemer, M., Bowman, J., Bradforth, S., Clary, D., Donovan, R., Fischer, I., Gianturco, F., Hochlaf, M., Houston, P., Knowles, P., Leone, S., Linguerri, R., Manthe, U., McCoy, A. B., Petersen, J., Richardson, J., Shan, X., Slavíček, P., …Zehnacker-Rentien, A. (2018). Precise characterisation of isolated molecules: general discussion. Faraday Discussions, 212, 137-155. https://doi.org/10.1039/c8fd90050g

Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach (2018)
Journal Article
Ndengué, S. A., Scribano, Y., Benoit, D. M., Gatti, F., & Dawes, R. (2019). Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach. Chemical Physics Letters, 715, 347-353. https://doi.org/10.1016/j.cplett.2018.11.035

We compute the rovibrational eigenstates of the H2O–H2 Van der Waals complex using the accurate rigid-rotor potential energy surface of Valiron et al. (2008) with the MultiConfiguration Time Dependent Hartree (MCTDH) method. The J=0–2 rovibrational b... Read More about Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach.

The s process in AGB stars as constrained by a large sample of barium stars (2018)
Journal Article
Cseh, B., Lugaro, M., D'Orazi, V., de Castro, D. B., Pereira, C. B., Karakas, A. I., Molnár, L., Plachy, E., Szabó, R., Pignatari, M., & Cristallo, S. (2018). The s process in AGB stars as constrained by a large sample of barium stars. Astronomy and Astrophysics, 620, https://doi.org/10.1051/0004-6361/201834079

© ESO 2018. Context. Barium (Ba) stars are dwarf and giant stars enriched in elements heavier than iron produced by the slow neutron-capture process (s process). These stars belong to binary systems in which the primary star evolved through the asymp... Read More about The s process in AGB stars as constrained by a large sample of barium stars.

The kinematics of cluster galaxies via velocity dispersion profiles (2018)
Journal Article
Bilton, L. E., & Pimbblet, K. A. (2018). The kinematics of cluster galaxies via velocity dispersion profiles. Monthly notices of the Royal Astronomical Society, 481(2), 1507-1521. https://doi.org/10.1093/mnras/sty2379

© 2018 The Author(s). We present an analysis of the kinematics of a sample of 14 galaxy clusters via velocity dispersion profiles (VDPs), compiled using cluster parameters defined within the X-Ray Galaxy Clusters Database (BAX) cross-matched with dat... Read More about The kinematics of cluster galaxies via velocity dispersion profiles.

NuGrid stellar data set – II. Stellar yields from H to Bi for stellar models with MZAMS = 1–25 M⊙ and Z = 0.0001–0.02 (2018)
Journal Article
Ritter, C., Herwig, F., Jones, S., Pignatari, M., Fryer, C., & Hirschi, R. (2018). NuGrid stellar data set – II. Stellar yields from H to Bi for stellar models with MZAMS = 1–25 M⊙ and Z = 0.0001–0.02. Monthly notices of the Royal Astronomical Society, 480(1), 538-571. https://doi.org/10.1093/mnras/sty1729

We provide here a significant extension of the NuGrid Set 1 models in mass coverage and towards lower metallicity, adopting the same physics assumptions. The combined data set now includes the initial masses
MZAMS/M⊙

= 1, 1.65, 2, 3, 4, 5, 6, 7,... Read More about NuGrid stellar data set – II. Stellar yields from H to Bi for stellar models with MZAMS = 1–25 M⊙ and Z = 0.0001–0.02.

The origin of the Milky Way's halo age distribution (2018)
Journal Article
Carollo, D., Tissera, P. B., Beers, T. C., Gudin, D., Gibson, B. K., Freeman, K. C., & Monachesi, A. (2018). The origin of the Milky Way's halo age distribution. Astrophysical journal. Letters, 859(1), L7. https://doi.org/10.3847/2041-8213/aac2dc

© 2018. The American Astronomical Society.. We present an analysis of the radial age gradients for the stellar halos of five Milky Way (MW) mass-sized systems simulated as part of the Aquarius Project. The halos show a diversity of age trends, reflec... Read More about The origin of the Milky Way's halo age distribution.

Correlations between age, kinematics, and chemistry as seen by the RAVE survey (2018)
Journal Article
Wojno, J., Kordopatis, G., Steinmetz, M., McMillan, P., Binney, J., Famaey, B., Monari, G., Minchev, I., Wyse, R. F., Antoja, T., Siebert, A., Carrillo, I., Bland-Hawthorn, J., Grebel, E. K., Zwitter, T., Bienaymé, O., Gibson, B., Kunder, A., Munari, U., Navarro, J., …Seabroke, G. (2018). Correlations between age, kinematics, and chemistry as seen by the RAVE survey. Monthly notices of the Royal Astronomical Society, 477(4), 5612-5624. https://doi.org/10.1093/mnras/sty1016

We explore the connections between stellar age, chemistry, and kinematics across a Galactocentric distance of 7.5 < R(kpc) < 9.0, using a sample of ∼12 000 intermediate-mass (FGK) turn-off stars observed with the RAdial Velocity Experiment (RAVE) sur... Read More about Correlations between age, kinematics, and chemistry as seen by the RAVE survey.

Improved distances and ages for stars common to TGAS and RAVE (2018)
Journal Article
McMillan, P. J., Kordopatis, G., Kunder, A., Binney, J., Wojno, J., Zwitter, T., Steinmetz, M., Bland-Hawthorn, J., Gibson, B. K., Gilmore, G., Grebel, E. K., Helmi, A., Munari, U., Navarro, J. F., Parker, Q. A., Seabroke, G., Watson, F., & Wyse, R. F. (2018). Improved distances and ages for stars common to TGAS and RAVE. Monthly notices of the Royal Astronomical Society, 477(4), 5279-5300. https://doi.org/10.1093/MNRAS/STY990

We combine parallaxes from the first Gaia data release with the spectrophotometric distance estimation framework for stars in the fifth RAVE survey data release. The combined distance estimates are more accurate than either determination in isolation... Read More about Improved distances and ages for stars common to TGAS and RAVE.

The impact of (n, γ) reaction rate uncertainties of unstable isotopes near N = 50 on the i-process nucleosynthesis in He-shell flash white dwarfs (2018)
Journal Article
Denissenkov, P., Perdikakis, G., Herwig, F., Schatz, H., Ritter, C., Pignatari, M., Jones, S., Nikas, S., & Spyrou, A. (2018). The impact of (n, γ) reaction rate uncertainties of unstable isotopes near N = 50 on the i-process nucleosynthesis in He-shell flash white dwarfs. Journal of Physics G: Nuclear and Particle Physics, 45(5), 055203. https://doi.org/10.1088/1361-6471/aabb6e

The first-peak s-process elements Rb, Sr, Y and Zr in the post-AGB star Sakurai's object (V4334 Sagittarii) have been proposed to be the result of i-process nucleosynthesis in a post-AGB very-late thermal pulse event. We estimate the nuclear physics... Read More about The impact of (n, γ) reaction rate uncertainties of unstable isotopes near N = 50 on the i-process nucleosynthesis in He-shell flash white dwarfs.

The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules (2018)
Journal Article
Roggatz, C. C., Lorch, M., & Benoit, D. M. (2018). The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules. Journal of chemical theory and computation : JCTC, 14(5), 2684-2695. https://doi.org/10.1021/acs.jctc.7b01020

In this study, we assess the influence of solvation on the accuracy and reliability of isotropic nuclear magnetic shielding calculations for amino acids in comparison to experimental data. We focus particularly on the performance of solvation methods... Read More about The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules.

i-process contribution of rapidly accreting white dwarfs to the solar composition of first-peak neutron-capture elements (2018)
Journal Article
Côté, B., Denissenkov, P., Herwig, F., Ruiter, A. J., Ritter, C., Pignatari, M., & Belczynski, K. (2018). i-process contribution of rapidly accreting white dwarfs to the solar composition of first-peak neutron-capture elements. The Astrophysical journal, 854(2), 1-14. https://doi.org/10.3847/1538-4357/aaaae8

Rapidly accreting white dwarfs (RAWDs) have been proposed as contributors to the chemical evolution of heavy elements in the Galaxy. Here, we test this scenario for the first time and determine the contribution of RAWDs to the solar composition of fi... Read More about i-process contribution of rapidly accreting white dwarfs to the solar composition of first-peak neutron-capture elements.

Role of core-collapse supernovae in explaining Solar System abundances of p nuclides (2018)
Journal Article
Travaglio, C., Rauscher, T., Heger, A., Pignatari, M., & West, C. (2018). Role of core-collapse supernovae in explaining Solar System abundances of p nuclides. The Astrophysical journal, 854(1), Article 18. https://doi.org/10.3847/1538-4357/aaa4f7

The production of the heavy stable proton-rich isotopes between 74Se and 196Hg—the p nuclides—is due to the contribution from different nucleosynthesis processes, activated in different types of stars. Whereas these processes have been subject to var... Read More about Role of core-collapse supernovae in explaining Solar System abundances of p nuclides.

The furan microsolvation blind challenge for quantum chemical methods: First steps (2018)
Journal Article
Gottschalk, H. C., Poblotzki, A., Suhm, M. A., Al-Mogren, M. M., Antony, J., Auer, A. A., Baptista, L., Benoit, D. M., Bistoni, G., Bohle, F., Dahmani, R., Firaha, D., Grimme, S., Hansen, A., Harding, M. E., Hochlaf, M., Holzer, C., Jansen, G., Klopper, W., Kopp, W. A., …Mata, R. A. (2018). The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics, 148(1), Article 014301. https://doi.org/10.1063/1.5009011

© 2018 Author(s). Herein we present the results of a blind challenge to quantum chemical methods in the calculation of dimerization preferences in the low temperature gas phase. The target of study was the first step of the microsolvation of furan, 2... Read More about The furan microsolvation blind challenge for quantum chemical methods: First steps.