Suchergebnisse

Torsional and rotational spectroscopic properties of pyruvic acid are determined using highly correlated ab initio methods and combining two different theoretical approaches: Second order perturbation theory and a variational procedure in three-dimensions. Four equilibrium geometries of pyruvic acid, Tc, Tt, Ct, and CC, outcome from a search with CCSD(T)-F12. All of them can be classified in the Cs point group. The variational calculations are performed considering the three internal rotation modes responsible for the non-rigidity as independent coordinates. More than 50 torsional energy levels (including torsional subcomponents) are localized in the 406–986 cm−1 region and represent excitations of the ν24 (skeletal torsion) and the ν23 (methyl torsion) modes. The third independent variable, the OH torsion, interacts strongly with ν23. The A1/E splitting of the ground vibrational state has been evaluated to be 0.024 cm−1 as it was expected given the high of the methyl torsional barrier (338 cm−1). A very good agreement with respect to previous experimental data concerning fundamental frequencies (νCAL − νEXP ~ 1 cm−1), and rotational parameters (B0CAL − B0EXP < 5 MHz), is obtained ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 872081. This research was supported by the Ministerio de Ciencia, Inovación y Universidades of Spain through the grants EIN2019-103072 and FIS2016-76418-P. This work has received funding from the CSIC i-coop+2018 program under the reference number COOPB20364. The author acknowledges the CTI (CSIC) and CESGA and to the "Red Española de Computación" for the grants AECT-2020-2-0008 and RES-AECT-2020-3-0011 for computing facilities

The relationship between sexuality and politics has always been an underlying assumption of the avant-garde. In recent East German avant-garde literature, the notion of authorship as production has become associated with technological rationality and the patriarchal socialist state. The ensuing crisis of the traditional male author has thus led necessarily to a radicalization of subjectivity and to the politics of gender. A comparison of two contemporary texts, one by a female author, one by a male, shows that the crisis of authorship assumes two distinctly different forms when differences in gender are taken into account. The East German authors Heiner Müller and Christa Wolf have exhibited remarkably similar literary and political developments. Two of their most recent texts, Mülller's Hamletmachine and Wolf's No Place. Nowhere, both address the problematic of traditional male authorship and the disintegration of a preconceived literary gender identity. Yet, these two texts exemplify very different assumptions about the relationship between authorship and the literary tradition. Müller's text suggests the imprisonment of the male author within a petrified system of tradition and images, and hence the necessity of deconstruction. Wolf's text manifests a process of creating a new form of female-identified authorship and the possibility of redefining the tradition of literature and its future.

William L. Dawson, Committee chairman ; Cover title ; Mode of access: Internet.