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Hattig, Susanne; Klein, Lothar; Müller, Klaus-Dieter

doi:10.7788/bue.2006.59.4.407

Cited by 2 publications

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“…The calculations were performed at RI‐CC216, 39–41 (only for isolated base monomers), RI‐ADC(2)34, 42–44, and TD‐DFT45–48 levels of theory. In the last case, the hybrid functionals B3‐LYP49 and PBE050 and the recently developed M06‐2X32 andM06‐HF33 functionals were selected.…”

Section: Computational Detailsmentioning

confidence: 99%

The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study

et al. 2010

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Electronic singlet excitations of stacked adenine-thymine (AT) and guanine-cytosine (GC) complexes have been investigated with respect to local excitation and charge-transfer (CT) characters. Potential energy curves for rigid displacement of the nucleobases have been computed to establish the distance dependence of the CT states. The second-order algebraic diagrammatic construction [ADC(2)] method served as reference approach for comparison to a selected set of density functionals used within the time-dependent density functional theory (TD-DFT). Particular attention was dedicated to the performance of the recently developed family of M06 functionals. The calculations for the stacked complexes show that at the ADC(2) level, the lowest CT state is S(6) for the AT and as S(4) for the GC pair. At the reference geometry, the actual charge transferred is found to be 0.73 e for AT. In case of GC, this amount is much smaller (0.17 e). With increasing separation of the two nucleobases, the CT state is strongly destabilized. The M06-2X version provides a relatively good reproduction of the ADC(2) results. It avoids the serious overstabilization and overcrowding of the spectrum found with the B3LYP functional. On the other hand, M06-HF destabilizes the CT state too strongly. TD-DFT/M06-2X calculations in solution (heptane, isoquinoline, and water) using the polarizable continuum model show a stabilization of the CT state and an increase in CT character with increasing polarity of the solvent.

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Section: Computational Detailsmentioning

confidence: 99%

The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study

et al. 2010

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Visitor Books and Memory – Evaluating the Bautzner Straße Dresden Memorial Site's Significance for Former Stasi Prisoners’ Individual Memories

Weise-Pötschke

2021

Journal of Nationalism, Memory &Amp; Language Politics

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Memorial sites document aspects of history. Thus, they represent a historical past deemed relevant by the initiators in the public sphere. The former Stasi detention center and district administration in Dresden Bautzner Straße is a memorial site that is dedicated to a critical representation of the communist dictatorship in East Germany. This does, however, not tell much about the historical site's meaning to the visitors. In order to get an impression of the visitors’ spontaneous reactions and thoughts, I systematically examine and categorize the memorial site's visitor books. Through these books, memorial sites offer visitors the opportunity to write down their thoughts thereby enabling an open channel of communication. My focus is on entries by persons who explicitly identify as former inmates of the very detention center they visited. They make up roughly 10 percent of all entries. I examine which thoughts former Stasi prisoners wrote down having visited their place of ordeal. What feelings and thoughts emerge after the visit? My aim is to shed light on the memorial site's significance and importance for the prisoner's individual memory by analyzing the entries’ type and content. The visitor books offer an authentic and intriguing access to former political prisoners’ mental world and their individual memory. This contribution connects the media representation of the communist dictatorship and its meaning for the former prisoners’ individual memory.

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Gedenken - Forschen - Lernen

Cited by 2 publications

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The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study

The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study

Visitor Books and Memory – Evaluating the Bautzner Straße Dresden Memorial Site's Significance for Former Stasi Prisoners’ Individual Memories

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