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The azafullerene Tb-2@C79N is found to be a single-molecule magnet with a high 100-s blocking temperature of magnetization of 24 K and large coercivity. Tb magnetic moments with an easy-axis single-ion magnetic anisotropy are strongly coupled by the unpaired spin of the single-electron Tb-Tb bond. Relaxation of magnetization in Tb-2@C79N below 15 K proceeds via quantum tunneling of magnetization with the characteristic time tau(QTM)=16462 +/- 1230 s. At higher temperature, relaxation follows the Orbach mechanism with a barrier of 757 +/- 4 K, corresponding to the excited states, in which one of the Tb spins is flipped. ; European Union's Horizon 2020 research and innovation programme, European Research Council [648295]; European Union's Horizon 2020 research and innovation programme, Marie Sklodowska-Curie action [748635]; Deutsche Forschungsgemeinschaft [PO 1602/4-1, 1602/5-1]; Luther & Alice Hamlett Scholarship ; We acknowledge funding from the European Union's Horizon 2020 research and innovation programme, European Research Council (grant agreement No 648295 to A.A.P.), and Marie Sklodowska-Curie action (grant agreement No. 748635 to S.M.A.), and the Deutsche Forschungsgemeinschaft (grants PO 1602/4-1 and 1602/5-1 to A.A.P.). K.K. acknowledges financial support from a Luther & Alice Hamlett Scholarship. Computational resources were provided by the Center for High Performance Computing at the TU Dresden. We appreciate the help from Dr. Anja U. B. Wolter and Sebastian Gass in magnetic measurements and technical support with computational resources in IFW Dresden by Ulrike Nitzsche.

A complex of geological and geophysical work was carried out to study fracturing in the Jurassic-Neogene rocks of the Heraclea Plateau, which included a field study of the Georgievsky fault zone, structural and geomorphological analysis; the geophysical complex combined marine seismic and magnetometric studies in combination with ground-based studies using electrotomography, gravimetry and magnetometry. The main object of study was the zone of the deep Georgievsky fault and the feathering tectonic disturbances. As a result of complex studies, the main geological and geophysical criteria for the identification of dangerous fracturing sites have been established: the extremely heterogeneous structure of the upper part of the geoelectric section to depths of 30–40 m according to electrical survey data; seismic data indicate that Miocene limestones have extremely low strength properties in areas of increased fracturing; according to electrical survey data, the water content (humidity) of the upper part of the section changes sharply horizontally; in the karst areas at certain depths, there is a sharp variability in resistivity from the maximum values to the minimum; fracturing develops quite actively under the influence of landslide processes. Especially dangerous are the stretching cracks that occur in areas of positive relief of the base rocks, along which landslide bodies represented by limestones slide.

We investigated spin-1/2 hydrogenated titanium (Ti) atoms on MgO using scanning tunneling microscopy (STM) combined with electron spin resonance (ESR) in vector magnetic fields. Rotating external magnetic fields, we observed rather drastic changes in both amplitude and frequency of resonance signals for single Ti atoms. While the variation of ESR amplitudes reflects the effects of the spin polarization of a magnetic tip and local magnetic fields created by the interaction between the tip and Ti, the change of resonance frequencies shows the anisotropy of g values for Ti atoms. Using the Ti atoms at the low-symmetry bridge adsorption site of the MgO lattice allowed for identifying the g values in all three spatial directions. Multiplet calculations confirmed the origin of this anisotropy as the spin-orbit coupling induced effects of crystal. Our results show the capability of single atomic spins as a sensor to probe magnetic surroundings and highlight the precision of ESR-STM to identify the single atom's spin states in a solid-state environment. ; This work was supported by the Institute for Basic Science (Grant No. IBS-R027-D1). D.-J.C. acknowledges financial support from the Spanish MICINN (Project No. RTI2018- 097895-B-C44 and Excelencia Project No. EUR2020-112116) and Eusko Jaurlaritza (Project No. PIBA_2020_-1_0017). F.D. acknowledges financial support from Spanish MICINN (Grant No. PID2019-109539GB-C41), Basque Government (Grant No. IT986-16), and Canary Islands program Viera y Clavijo (Grant No. 2017/0000231). C.P.L. acknowledges financial support from the ONR. ; Peer reviewed

This is the peer reviewed version of the following article: Mroginski, Adam, Amoyal, Barnoy, Bondar, . Schapiro. (2020). Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and Photobiology, 97 (2):243-269, which has been published in final form at https://doi.org/10.1111/php.13372 . This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley's version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited. ; This perspective article highlights the challenges in the theoretical description of photoreceptor proteins using multiscale modeling, as discussed at the CECAM workshop in Tel Aviv, Israel. The participants have identified grand challenges and discussed the development of new tools to address them. Recent progress in understanding representative proteins such as green fluorescent protein, photoactive yellow protein, phytochrome, and rhodopsin is presented, along with methodological developments.

Science is among humanity's greatest achievements, yet scientific censorship is rarely studied empirically. We explore the social, psychological, and institutional causes and consequences of scientific censorship (defined as actions aimed at obstructing particular scientific ideas from reaching an audience for reasons other than low scientific quality). Popular narratives suggest that scientific censorship is driven by authoritarian officials with dark motives, such as dogmatism and intolerance. Our analysis suggests that scientific censorship is often driven by scientists, who are primarily motivated by self-protection, benevolence toward peer scholars, and prosocial concerns for the well-being of human social groups. This perspective helps explain both recent findings on scientific censorship and recent changes to scientific institutions, such as the use of harm-based criteria to evaluate research. We discuss unknowns surrounding the consequences of censorship and provide recommendations for improving transparency and accountability in scientific decision-making to enable the exploration of these unknowns. The benefits of censorship may sometimes outweigh costs. However, until costs and benefits are examined empirically, scholars on opposing sides of ongoing debates are left to quarrel based on competing values, assumptions, and intuitions.