958 resultados para spin connection


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Iowa Lottery Authority Player Information Newsletter

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Iowa Lottery Authority Player Information Newsletter

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We report here a new empirical density functional that is constructed based on the performance of OPBE and PBE for spin states and SN 2 reaction barriers and how these are affected by different regions of the reduced gradient expansion. In a previous study [Swart, Sol̀, and Bickelhaupt, J. Comput. Methods Sci. Eng. 9, 69 (2009)] we already reported how, by switching between OPBE and PBE, one could obtain both the good performance of OPBE for spin states and reaction barriers and that of PBE for weak interactions within one and the same (SSB-sw) functional. Here we fine tuned this functional and include a portion of the KT functional and Grimme's dispersion correction to account for π- π stacking. Our new SSB-D functional is found to be a clear improvement and functions very well for biological applications (hydrogen bonding, π -π stacking, spin-state splittings, accuracy of geometries, reaction barriers)

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Bimonthly newsletter of the Iowa Gender-Specific Services Task Force. This issue discusses girls and the impact of involvement in sports and other physical activities.

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Iowa Lottery Player Newsletter

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Bimonthly newsletter of the Iowa Gender-Specific Services Task Force. This issue discusses girls and the impact of involvement in sports and other physical activities.

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Bi-monthly newsletter about gender-specific services for young women involved in or at risk for involvement in the juvenile justice system.

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A monthly newsletter for Iowa Commission on the Status of Women

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A monthly newsletter for Iowa Commission on the Status of Women

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Iowa Lottery Customer Newsletter

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Iowa Lottery Customer Newsletter

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Iowa Lottery Customer Newsletter

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A monthly newsletter for Iowa Commission on the Status of Women

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A monthly newsletter for Iowa Commission on the Status of Women

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A monthly newsletter for Iowa Commission on the Status of Women