Search Results - "Valiev, Rashid. R."

Energy-Cascaded Upconversion in an Organic Dye-Sensitized Core/Shell Fluoride Nanocrystal by Chen, Guanying, Damasco, Jossana, Qiu, Hailong, Shao, Wei, Ohulchanskyy, Tymish Y, Valiev, Rashid R, Wu, Xiang, Han, Gang, Wang, Yan, Yang, Chunhui, Ågren, Hans, Prasad, Paras N

“…Lanthanide-doped upconversion nanoparticles hold promises for bioimaging, solar cells, and volumetric displays. However, their emission brightness and…”
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Computational Studies of Aromatic and Photophysical Properties of Expanded Porphyrins by Valiev, Rashid R., Benkyi, Isaac, Konyshev, Yuri V., Fliegl, Heike, Sundholm, Dage

“…Magnetically induced current densities and ring-current pathways have been calculated at density functional theory (DFT) and second-order Møller–Plesset…”
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Highly Efficient Room-Temperature Light-Induced Synthesis of Polymer Dots: A Programming Control Paradigm of Polymer Nanostructurization from Single-Component Precursor by Zhang, Man, Li, Zhongyu, Luo, Mengkai, Baryshnikov, Glib V., Valiev, Rashid. R., Weng, Taoyu, Shen, Shen, Liu, Qingsong, Sun, Hao, Xu, Xiaoyan, Sun, Zhe, Ågren, Hans, Zhu, Liangliang

“…Polymer dots (PDs) have raised considerable research interest due to their advantages of designable nanostructures, high biocompatibility, versatile…”
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Computational studies of photophysical properties of porphin, tetraphenylporphyrin and tetrabenzoporphyrin by Valiev, Rashid R, Cherepanov, Victor N, Artyukhov, Victor Ya, Sundholm, Dage

“…The molecular photonics of porphyrins are studied using a combination of first-principle and semi-empirical calculations. The applicability of the approach is…”
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Can Plasmon Change Reaction Path? Decomposition of Unsymmetrical Iodonium Salts as an Organic Probe by Miliutina, Elena, Guselnikova, Olga, Soldatova, Natalia S, Bainova, Polina, Elashnikov, Roman, Fitl, Přemysl, Kurten, Theo, Yusubov, Mekhman S, Švorčík, Václav, Valiev, Rashid R, Chehimi, Mohamed M, Lyutakov, Oleksiy, Postnikov, Pavel S

“…Plasmon-assisted transformations of organic compounds represent a novel opportunity for conversion of light to chemical energy at room temperature. However,…”
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Is either direct photolysis or photocatalysed H-shift of peroxyl radicals a competitive pathway in the troposphere? by Valiev, Rashid R., Kurten, Theo

“…Peroxyl radicals (RO O . ) are key intermediates in atmospheric chemistry, with relatively long lifetimes compared to most other radical species. In this…”
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Positional Isomers of Isocyanoazulenes as Axial Ligands Coordinated to Ruthenium(II) Tetraphenylporphyrin: Fine-Tuning Redox and Optical Profiles by Fathi-Rasekh, Mahtab, Rohde, Gregory T, Hart, Mason D, Nakakita, Toshinori, Zatsikha, Yuriy V, Valiev, Rashid R, Barybin, Mikhail V, Nemykin, Victor N

“…Two isomeric ruthenium­(II)/5,10,15,20-tetraphenylporphyrin complexes featuring axially coordinated redox-active, low-optical gap 2- or 6-isocyanoazulene…”
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Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization by Baryshnikov, Gleb V., Karaush, Nataliya N., Valiev, Rashid R., Minaev, Boris F.

“…A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to…”
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Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling by Baryshnikov, Glib V, Valiev, Rashid R, Kuklin, Artem V, Sundholm, Dage, Ågren, Hans

“…Cyclo­[18]­carbon (C18) is studied computationally at the density functional theory (DFT) and ab initio levels to obtain insight into its electronic structure,…”
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Gold()-containing light-emitting molecules with an inverted singlet-triplet gap by Blasco, Daniel, Nasibullin, Rinat T, Valiev, Rashid R, Sundholm, Dage

“…Delayed fluorescence from molecules with an inverted singlet-triplet gap (DFIST) is the consequence of the unusual reverse order of the lowest excited singlet…”
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Computational Investigation of the Formation of Peroxide (ROOR) Accretion Products in the OH- and NO3‑Initiated Oxidation of α‑Pinene by Hasan, Galib, Valiev, Rashid R, Salo, Vili-Taneli, Kurtén, Theo

“…The formation of accretion products (“dimers”) from recombination reactions of peroxyl radicals (RO2) is a key step in the gas-phase generation of…”
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Comparing Reaction Routes for 3(RO···OR′) Intermediates Formed in Peroxy Radical Self- and Cross-Reactions by Hasan, Galib, Salo, Vili-Taneli, Valiev, Rashid R, Kubečka, Jakub, Kurtén, Theo

“…Organic peroxy radicals (RO2) are key intermediates in the chemistry of the atmosphere. One of the main sink reactions of RO2 is the recombination reaction RO2…”
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Intersystem Crossings Drive Atmospheric Gas-Phase Dimer Formation by Valiev, Rashid R, Hasan, Galib, Salo, Vili-Taneli, Kubečka, Jakub, Kurten, Theo

“…High molecular weight “ROOR′” dimers, likely formed in the gas phase through self- and cross-reactions of complex peroxy radicals (RO2), have been suggested to…”
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Computational Investigation of the Formation of Peroxide (ROOR) Accretion Products in the OH- and NO 3 -Initiated Oxidation of α-Pinene by Hasan, Galib, Valiev, Rashid R, Salo, Vili-Taneli, Kurtén, Theo

“…The formation of accretion products ("dimers") from recombination reactions of peroxyl radicals (RO ) is a key step in the gas-phase generation of…”
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Insights into Magnetically Induced Current Pathways and Optical Properties of Isophlorins by Valiev, Rashid R, Fliegl, Heike, Sundholm, Dage

“…The magnetically induced current density of tetraoxa-isophlorin and dioxa-dithia-isophlorin have been studied at the density functional theory (DFT) level…”
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Aromatic Pathways in Carbathiaporphyrins by Valiev, Rashid R, Fliegl, Heike, Sundholm, Dage

“…Magnetically induced current densities and current pathways have been calculated for carbaporphyrins and carbathiaporphyrins using the gauge including…”
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Aromaticity of Even-Number Cyclo[n]carbons (n = 6–100) by Baryshnikov, Glib V, Valiev, Rashid R, Nasibullin, Rinat T, Sundholm, Dage, Kurten, Theo, Ågren, Hans

“…The recently synthesized cyclo[18]carbon molecule has been characterized in a number of studies by calculating electronic, spectroscopic, and mechanical…”
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Nonradiative Deactivation of the Fluorescent Ag 16 -DNA and Ag 10 -DNA Emitters: The Role of Water by Ramazanov, Ruslan R, Nasibullin, Rinat T, Sundholm, Dage, Kurtén, Theo, Valiev, Rashid R

“…The luminescent quantum yield of silver-cluster emitters stabilized by short oligonucleotides (Ag -DNA) may be efficiently tuned by replacing nucleobases in…”
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Nonradiative Deactivation of the Fluorescent Ag16-DNA and Ag10-DNA Emitters: The Role of Water by Ramazanov, Ruslan R., Nasibullin, Rinat T., Sundholm, Dage, Kurtén, Theo, Valiev, Rashid R.

“…The luminescent quantum yield of silver-cluster emitters stabilized by short oligonucleotides (AgN-DNA) may be efficiently tuned by replacing nucleobases in…”
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When are Antiaromatic Molecules Paramagnetic? by Valiev, Rashid R, Baryshnikov, Glib V, Nasibullin, Rinat T, Sundholm, Dage, Ågren, Hans

“…Magnetizabilities and magnetically induced current densities have been calculated and analyzed for a series of antiaromatic cyclo­[4k]­carbons (k = 2–11),…”
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