Nuclear Testing in French Polynesia: After Fifty Years of Lies and State Secrets by Spitz, Chantal

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Multi-body wave function of ground and low-lying excited states using unornamented deep neural networks by Tomoya Naito (内藤智也), Hisashi Naito (内藤久資), Koji Hashimoto (橋本幸士)

“…We propose a method to calculate wave functions and energies not only of the ground state but also of low-lying excited states using a deep neural network and the unsupervised machine learning technique. …”
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Anatomy of octupole correlations in 96Zr with a symmetry-restored multidimensionally-constrained covariant density functional theory by Yu-Ting Rong, Xian-Ye Wu, Bing-Nan Lu, Jiang-Ming Yao

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From William and Mary to William III: Transitioning the Monarchy at the Funeral Rituals of Mary II, 1695 by Mark Walker

“…The funeral rituals of Mary, from lying in state to the burial, which played out between February and March 1695, acted as both funeral and succession, ending one form of monarchy and securing a new one. …”
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Exciton landscape in van der Waals heterostructures by Joakim Hagel, Samuel Brem, Christopher Linderälv, Paul Erhart, Ermin Malic

“…This allows us to identify on a microscopic footing the energetically lowest-lying exciton state for each material and stacking. Furthermore, we disentangle the contribution of hybridization and layer polarization-induced alignment shifts of dark and bright excitons in photoluminescence spectra. …”
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Metal Ion Enhanced Charge Transfer in a Terpyridine-bis-Pyrene System by Luisa De Cola, Elio Cecchetto, Anthony D’Aléo, René M. Williams

“…At 77K, the absence of the terpyridine triplet emission also suggests the population of a low-lying triplet state of the pyrene unit.…”
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Understanding of complex spin up-conversion processes in charge-transfer-type organic molecules by Hyung Suk Kim, Sang Hoon Lee, Seunghyup Yoo, Chihaya Adachi

“…In this context, we propose a comprehensive model to describe the spin-flip processes applicable for a typical CT-type molecule, revealing the origin of the high-lying T state in a partial molecular framework in CT-type molecules. …”
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Effects of isoscalar pairing force on spin-isospin transitions in 42Ca by GUO Liang, NIU Yifei

“…Using the QRPA model, the GT and SD transitions in 42Ca were calculated, where the Gaussian isoscalar pairing force was adopted, with its strength being a free parameter.ResultsFor GT states, the isoscalar pairing mixed the spin-flip transition configuration into the low-lying GT state, enhancing the collectivity of the low-energy GT state and significantly increasing its transition strength. …”
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Photogrammetry of Ultrafast Excited-State Intramolecular Proton Transfer Pathways in the Fungal Pigment Draconin Red by Janak Solaris, Taylor D. Krueger, Cheng Chen, Chong Fang

“…Transient intensity (population and polarizability) and frequency (structural and cooling) dynamics of –COH rocking and –C=C, –C=O stretching modes following directed stimulation of each tautomer elucidate the excitation-dependent relaxation pathways, particularly the bidirectional ESIPT progression out of the Franck–Condon region to the lower-lying excited state, of the intrinsically heterogeneous chromophore in dichloromethane solvent. …”
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Designing Red-Shifted Molecular Emitters Based on the Annulated Locked GFP Chromophore Derivatives by Gregory D. Sinenko, Dilara A. Farkhutdinova, Ivan N. Myasnyanko, Nadezhda S. Baleeva, Mikhail S. Baranov, Anastasia V. Bochenkova

“…The presence of a completely dark lowest-lying excited state is supported by the experimentally measured extremely low fluorescence quantum yield of the newly synthesized compound. …”
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Thiophene Disubstituted Benzothiadiazole Derivatives: An Effective Planarization Strategy Toward Deep-Red to Near-Infrared (NIR) Organic Light-Emitting Diodes by Wentao Xie, Binbin Li, Xinyi Cai, Mengke Li, Zhenyang Qiao, Xiaohui Tang, Kunkun Liu, Cheng Gu, Yuguang Ma, Shi-Jian Su

“…Density functional theory analysis and photophysical characterization reveal that these three materials possess hybridized local and charge-transfer (HLCT) state feature and a feasible reverse intersystem crossing (RISC) from the high-lying triplet state to the singlet state may conduce to an exciton utilization exceeding the limit of 25% of traditional fluorescence materials under electrical excitation. …”
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An Ab Initio Investigation on Relevant Oligomerization Reactions of Toluene Diisocyanate (TDI) by Ravikumar Thangaraj, Béla Fiser, Xuanbing Qiu, Chuanliang Li, Béla Viskolcz, Milán Szőri

“…The formation of the uretdione ring structures, from the 2,4-TDI dimer with both NCO groups in the meta position for each phenyl ring and one methyl group in the para and one in the meta position, had the lowest-lying transition state (Δ^#<i>E</i>₀<i></i>= 94.4 kJ/mol) in the gas phase. …”
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Spectroscopic investigations of negatively charged tin-vacancy centres in diamond by Johannes Görlitz, Dennis Herrmann, Gergő Thiering, Philipp Fuchs, Morgane Gandil, Takayuki Iwasaki, Takashi Taniguchi, Michael Kieschnick, Jan Meijer, Mutsuko Hatano, Adam Gali, Christoph Becher

“…Using photoluminescence excitation spectroscopy we probe an energetically higher lying excited state and prove fully lifetime limited linewidths of single emitters at cryogenic temperatures. …”
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The Photochemistry of Fe₂(S₂C₃H₆)(CO)₆(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT... by Federica Arrigoni, Giuseppe Zampella, Luca De Gioia, Claudio Greco, Luca Bertini

“…Using density functional theory (DFT) and time-dependent density functional theory (TDDFT) computations, the ground state and low-lying excited-state potential energy surfaces (PESs) of <b>¹a–CO</b> and <b>²a⁺–CO</b> have been explored aimed at elucidating the dynamics of the CO photolysis yielding Fe₂(S₂C₃H₆)(CO)₆ (<b>¹a</b>) and [Fe₂(S₂C₃H₆)(CO)₆]⁺ (<b>²a⁺</b>), two simple models of the catalytic site of the enzyme. …”
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Two Excited State Collaboration of Heteroleptic Ir(III)-Coumarin Complexes for H₂ Evolution Dye-Sensitized Photocatalysts by Atsushi Kobayashi, Eiichirou Muramatsu, Masaki Yoshida, Masako Kato

“…These results suggest that the internal conversion from the higher-lying LC state to the LLCT state effectively occurs in both Ir-CX complexes to trigger electron injection to TiO₂.…”
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Theoretical Investigation of Iridium Complex with Aggregation-Induced Emission Properties by Piotr Lodowski, Maria Jaworska

“…The rotation of the oxazoline group and the elongation of the Ir-N_ox bond cause a transition between the luminescent, low-lying triplet state with a <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>d</mi><mo>/</mo><mi>π</mi><mo>→</mo><mi>π</mi></mrow></semantics></math></inline-formula>* characteristic (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="normal">T</mi><mrow><mn>1</mn><mo>(</mo><mi>eq</mi><mo>)</mo></mrow></msub></semantics></math></inline-formula>), and the radiationless <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>d</mi><mo>→</mo><mi>d</mi></mrow></semantics></math></inline-formula> triplet state (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="normal">T</mi><mrow><mn>1</mn><mo>(</mo><mi>Ir</mi><mo>)</mo></mrow></msub></semantics></math></inline-formula>). …”
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A direct observation of up-converted room-temperature phosphorescence in an anti-Kasha dopant-matrix system by Jiuyang Li, Xun Li, Guangming Wang, Xuepu Wang, Minjian Wu, Jiahui Liu, Kaka Zhang

“…Here, authors report up-converted room-temperature phosphorescence materials that emit from higher-lying triplet states with 3n-π* characters and large phosphorescence decay rate constants, violating Kasha’s rule.…”
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Elastic and inelastic form factors of the 10B nuclei with the large-basis shell model by Bashair H. Jawed, Adie D. Salman, I. Hossain

“…In this study, inelastic and elastic form factors for the low-lying excited states of 10B nucleus were calculated utilizing the nuclear shell model theory. …”
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Twisted boundary energy and low energy excitation of the XXZ spin torus at the ferromagnetic region by Yi Qiao, Zhirong Xin, Kun Hao, Junpeng Cao, Wen-Li Yang, Kangjie Shi, Yupeng Wang

“…It is shown that the distribution of the Bethe roots of the inhomogeneous Bethe ansatz equations (BAEs) for the ground state as well as for the low-lying excited states satisfy the string hypothesis, although the inhomogeneous BAEs are not in the standard product form which has made the study of the corresponding thermodynamic limit nontrivial. …”
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Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates by Yasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, David Casanova, Fabrizia Negri

“…Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and optoelectronic properties. …”
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