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Thematische Bibliographien / Very high spin molecules

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Auswahl der wissenschaftlichen Literatur zum Thema „Very high spin molecules“

Autor: Grafiati

Veröffentlicht am 18. Mai 2024

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Zeitschriftenartikel zum Thema "Very high spin molecules"

1

Dougherty, Dennis A., S. Joshua Jacobs, Scott K. Silverman, et al. "New Organic Polymers And Molecules With Very High Spin States." Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 232, no. 1 (1993): 289–304. http://dx.doi.org/10.1080/10587259308035719.

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2

Estrada, Ernesto. "The electron density function of the Hückel (tight-binding) model." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474, no. 2210 (2018): 20170721. http://dx.doi.org/10.1098/rspa.2017.0721.

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The Hückel (tight-binding) molecular orbital (HMO) method has found many applications in the chemistry of alternant conjugated molecules, such as polycyclic aromatic hydrocarbons (PAHs), fullerenes and graphene-like molecules, as well as in solid-state physics. In this paper, we found analytical expressions for the electron density matrix of the HMO method in terms of odd-powers of its Hamiltonian. We prove that the HMO density matrix induces an embedding of a molecule into a high-dimensional Euclidean space in which the separation between the atoms scales very well with the bond lengths of PA

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3

Cui, Xing-Qian, Qian Liu, Zhi-Qiang Fan, and Zhen-Hua Zhang. "Effects of oxygen adsorption on spin transport properties of single anthracene molecular devices." Acta Physica Sinica 69, no. 24 (2020): 248501. http://dx.doi.org/10.7498/aps.69.20201028.

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With the miniaturization of molecular devices, high-performance nano devices can be fabricated by controlling the spin states of electrons. Because of their advantages such as low energy consumption, easy integration and long decoherence time, more and more attention has been paid to them. So far, the spin filtration efficiency of molecular device with graphene electrode is not very stable, which will decrease with the increase of voltage, and thus affecting its applications. Therefore, how to enhance the spin filtration efficiency of molecular device with graphene electrode becomes a scientif

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4

Jackowski, Karol, and Mateusz A. Słowiński. "Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH4-nFn Series of Molecules as the Example." Molecules 28, no. 3 (2023): 1499. http://dx.doi.org/10.3390/molecules28031499.

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Attempts at the theoretical interpretation of NMR spectra have a very long and fascinating history. Present quantum chemical calculations of shielding and indirect spin-spin couplings permit modeling NMR spectra when small, isolated molecules are studied. Similar data are also available from NMR experiments if investigations are performed in the gas phase. An interesting set of molecules is formed when a methane molecule is sequentially substituted by fluorine atoms—CH4-nFn, where n = 0, 1, 2, 3, or 4. The small molecules contain up to three magnetic nuclei, each with a one-half spin number. T

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5

Simpson, J. "Nuclear Shapes and Phases at Very High Spin." Physica Scripta T23 (January 1, 1988): 37–42. http://dx.doi.org/10.1088/0031-8949/1988/t23/005.

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6

Delgado, Teresa, Antoine Tissot, Laure Guénée, et al. "Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material." Journal of the American Chemical Society 140, no. 40 (2018): 12870–76. http://dx.doi.org/10.1021/jacs.8b06042.

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7

Haeri, Blaffert, Schöffmann, et al. "Concentration Effects in the Interaction of Monoclonal Antibodies (mAbs) with their Immediate Environment Characterized by EPR Spectroscopy." Molecules 24, no. 14 (2019): 2528. http://dx.doi.org/10.3390/molecules24142528.

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Monoclonal antibodies (mAbs) are often needed and applied in high concentration solutions, >100 mg/mL. Due to close intermolecular distances between mAbs at high concentrations (~10-20 nm at 200 mg/mL), intermolecular interactions between mAbs and mAbs and solvent/co-solute molecules become non-negligible. Here, EPR spectroscopy is used to study the high-concentration solutions of mAbs and their effect on co-solvated small molecules, using EPR “spin probing” assay in aqueous and buffered solutions. Such, information regarding the surrounding environments of mAbs at high concentrations were

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8

Furman, Gregory, and Shaul Goren. "Spin-Lattice Relaxation of Dipolar Energy in Fluid Confined to Nanosize Cavities." Materials Science Forum 721 (June 2012): 47–52. http://dx.doi.org/10.4028/www.scientific.net/msf.721.47.

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We shown that by means of the two pulse sequence, the spin system of a liquid entrapped into nanosize cavities can be prepared in quasi-equilibrium states of high dipolar order. Then the dipolar order relaxes to thermal equilibrium with the lattice with a relaxation time T1d. It was shown that large number of spins T1d increases as the square to the concentration of the molecules C and decreases as inverse of the number of spins, T1d - C²/N. Study of spin lattice relaxation of dipolar energy in a spin system under the bounded region is important for extracting very useful parameter characteriz

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9

Ghosh, Pratyush, Antonios M. Alvertis, Rituparno Chowdhury, et al. "Decoupling excitons from high-frequency vibrations in organic molecules." Nature 629, no. 8011 (2024): 355–62. http://dx.doi.org/10.1038/s41586-024-07246-x.

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AbstractThe coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm−1) has been thought to be unavoidable1,2. These high-frequency modes accelerate non-radiative losses and limit the performance of light-emitting diodes, fluorescent biomarkers and photovoltaic devices. Here, by combining broadband impulsive vibrational spectroscopy, first-principles modelling and synthetic chemistry, we explore exciton–vibration coupling in a range of π-conjugated molecules. We uncover two design rules that decouple excitons f

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10

Caselli, P., O. Sipilä, and J. Harju. "Deuterated forms of H 3 + and their importance in astrochemistry." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 377, no. 2154 (2019): 20180401. http://dx.doi.org/10.1098/rsta.2018.0401.

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At the low temperatures (approx. 10 K) and high densities (approx. 100 000 H 2 molecules per cm −3 ) of molecular cloud cores and protostellar envelopes, a large amount of molecular species (in particular those containing C and O) freeze-out onto dust grain surfaces. It is in these regions that the deuteration of H 3 + becomes very efficient, with a sharp abundance increase of H 2 D + and D 2 H + . The multi-deuterated forms of H 3 + participate in an active chemistry: (i) their collision with neutral species produces deuterated molecules such as the commonly observed N 2 D + , DCO + and multi

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