Search Results - "Brus, Jiři"

Revisiting the Most Stable Structures of the Benzene Dimer by Czernek, Jiří, Brus, Jiří

“…The benzene dimer (BD) is an archetypal model of π∙∙∙π and C-H∙∙∙π noncovalent interactions as they occur in its cofacial and perpendicular arrangements,…”
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On the Potential Energy Surface of the Pyrene Dimer by Czernek, Jiří, Brus, Jiří

“…Knowledge of reliable geometries and associated intermolecular interaction energy (Δ ) values at key fragments of the potential energy surface (PES) in the gas…”
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Reliable Dimerization Energies for Modeling of Supramolecular Junctions by Czernek, Jiří, Brus, Jiří

“…Accurate estimates of intermolecular interaction energy, Δ , are crucial for modeling the properties of organic electronic materials and many other systems…”
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On the Intermolecular Interactions in Thiophene-Cored Single-Stacking Junctions by Czernek, Jiří, Brus, Jiří

“…There have been attempts, both experimental and based on density-functional theory (DFT) modeling, at understanding the factors that govern the electronic…”
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A Cost Effective Scheme for the Highly Accurate Description of Intermolecular Binding in Large Complexes by Czernek, Jiří, Brus, Jiří, Czerneková, Vladimíra

“…There has been a growing interest in quantitative predictions of the intermolecular binding energy of large complexes. One of the most important quantum…”
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Polymorphic Forms of Valinomycin Investigated by NMR Crystallography by Czernek, Jiří, Brus, Jiří

“…A dodecadepsipeptide valinomycin (VLM) has been most recently reported to be a potential anti-coronavirus drug that could be efficiently produced on a large…”
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Perovskite-molecule composite thin films for efficient and stable light-emitting diodes by Wang, Heyong, Kosasih, Felix Utama, Yu, Hongling, Zheng, Guanhaojie, Zhang, Jiangbin, Pozina, Galia, Liu, Yang, Bao, Chunxiong, Hu, Zhangjun, Liu, Xianjie, Kobera, Libor, Abbrent, Sabina, Brus, Jiri, Jin, Yizheng, Fahlman, Mats, Friend, Richard H., Ducati, Caterina, Liu, Xiao-Ke, Gao, Feng

“…Although perovskite light-emitting diodes (PeLEDs) have recently experienced significant progress, there are only scattered reports of PeLEDs with both high…”
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On the Many-Body Expansion of an Interaction Energy of Some Supramolecular Halogen-Containing Capsules by Czernek, Jiří, Brus, Jiří

“…A tetramer model was investigated of a remarkably stable iodine-containing supramolecular capsule that was most recently characterized by other authors, who…”
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Quantifying the Intrinsic Strength of C-H⋯O Intermolecular Interactions by Czernek, Jiří, Brus, Jiří, Czerneková, Vladimíra, Kobera, Libor

“…It has been recognized that the C-H⋯O structural motif can be present in destabilizing as well as highly stabilizing intermolecular environments. Thus, it…”
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Manipulating crystallization dynamics through chelating molecules for bright perovskite emitters by Zou, Yatao, Teng, Pengpeng, Xu, Weidong, Zheng, Guanhaojie, Lin, Weihua, Yin, Jun, Kobera, Libor, Abbrent, Sabina, Li, Xiangchun, Steele, Julian A., Solano, Eduardo, Roeffaers, Maarten B. J., Li, Jun, Cai, Lei, Kuang, Chaoyang, Scheblykin, Ivan G., Brus, Jiri, Zheng, Kaibo, Yang, Ying, Mohammed, Omar F., Bakr, Osman M., Pullerits, Tönu, Bai, Sai, Sun, Baoquan, Gao, Feng

“…Molecular additives are widely utilized to minimize non-radiative recombination in metal halide perovskite emitters due to their passivation effects from…”
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Parametrizing the Spatial Dependence of 1H NMR Chemical Shifts in π-Stacked Molecular Fragments by Czernek, Jiří, Brus, Jiří

“…Most recently a renewed interest in several areas has arisen in factors governing the 1H NMR chemical shift (1H CS) of protons in aromatic systems. Therefore,…”
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Ion-modulated radical doping of spiro-OMeTAD for more efficient and stable perovskite solar cells by Zhang, Tiankai, Wang, Feng, Kim, Hak-Beom, Choi, In-Woo, Wang, Chuanfei, Cho, Eunkyung, Konefal, Rafal, Puttisong, Yuttapoom, Terado, Kosuke, Kobera, Libor, Chen, Mengyun, Yang, Mei, Bai, Sai, Yang, Bowen, Suo, Jiajia, Yang, Shih-Chi, Liu, Xianjie, Fu, Fan, Yoshida, Hiroyuki, Chen, Weimin M., Brus, Jiri, Coropceanu, Veaceslav, Hagfeldt, Anders, Brédas, Jean-Luc, Fahlman, Mats, Kim, Dong Suk, Hu, Zhangjun, Gao, Feng

“…Record power conversion efficiencies (PCEs) of perovskite solar cells (PSCs) have been obtained with the organic hole transporter 2,2′,7,7′-tetrakis( N , N…”
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Synthesis of conductive doubly filled poly(N-isopropylacrylamide)-polyaniline-SiO2 hydrogels by Depa, Katarzyna, Strachota, Adam, Šlouf, Miroslav, Brus, Jiří, Cimrová, Věra

“…[Display omitted] •Doubly filled porous PNIPAm/SiO2/PANI hydrogels were synthesized.•The gels display a very fast T-response, as well as good mechanical…”
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RAFT Polymerisation and Hypercrosslinking Improve Crosslink Homogeneity and Surface Area of Styrene Based PolyHIPEs by Koler, Amadeja, Brus, Jiři, Krajnc, Peter

“…The influence of a polymerisation mechanism (reversible addition-fragmentation chain transfer; RAFT vs. free radical polymerisation; FRP) on the porous…”
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Exploring Accuracy Limits of Predictions of the 1H NMR Chemical Shielding Anisotropy in the Solid State by Czernek, Jiří, Brus, Jiří

“…The 1H chemical shielding anisotropy (CSA) is an NMR parameter that is exquisitely sensitive to the local environment of protons in crystalline systems, but it…”
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A guest-assisted molecular-organization approach for >17% efficiency organic solar cells using environmentally friendly solvents by Chen, Haiyang, Zhang, Rui, Chen, Xiaobin, Zeng, Guang, Kobera, Libor, Abbrent, Sabina, Zhang, Ben, Chen, Weijie, Xu, Guiying, Oh, Jiyeon, Kang, So-Huei, Chen, Shanshan, Yang, Changduk, Brus, Jiri, Hou, Jianhui, Gao, Feng, Li, Yaowen, Li, Yongfang

“…The power conversion efficiencies (PCEs) of laboratory-sized organic solar cells (OSCs), usually processed from low-boiling-point and toxic solvents, have…”
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Monitoring the Site-Specific Solid-State NMR Data in Oligopeptides by Czernek, Jiří, Brus, Jiří

“…Reliable values of the solid-state NMR (SSNMR) parameters together with precise structural data specific for a given amino acid site in an oligopeptide are…”
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Simple Route to [PSH][B9H14] and a Contemporary Study of Its Solid-State Dynamic Behavior by Bould, Jonathan, Londesborough, Michael G. S., Brus, Jiři, Tok, Oleg, Sanz Miguel, Pablo J., Macías, Ramón

“…The 1,8-bis­(dimethylamino)­naphthalenium ([PSH]+) decaborane salt, [PSH]­[B10H13], has been found to react in ethanol to form [PSH]­[B9H14] (1), affording a…”
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A Volumetric Analysis of the 1H NMR Chemical Shielding in Supramolecular Systems by Czernek, Jiří, Brus, Jiří

“…The liquid state NMR chemical shift of protons is a parameter frequently used to characterize host–guest complexes. Its theoretical counterpart, that is, the…”
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Retention of dead standing plant biomass (marcescence) increases subsequent litter decomposition in the soil organic layer by Angst, Šárka, Cajthaml, Tomáš, Angst, Gerrit, Šimáčková, Hana, Brus, Jiří, Frouz, Jan

“…Aim We evaluated the impact of retaining dead standing biomass (marcescence) on subsequent litter decomposition in the soil organic layer. Methods Litter of…”
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