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Molecular Magnetism Web
Jinkui Tang. Annie K. Powell and Universiteit Leiden with Prof. His current research focuses on the synthesis and characterization of new molecular magnetic materials including single molecule-magnets and single-molecule toroics based on highly anisotropic lanthanide ions. His work has resulted in about peer-reviewed publications. Now he is a PhD student supervised by Prof. His current work focuses on lanthanide-based molecular magnetism.
Zuo, T. Fu, W. Rajaraman, G. Cimpoesu, F. Experimental evidence in support of the formation of anionic endohedral metallofullerenes during their extraction with N,N-dimethylformamide. Carbon Nanostruct. Bubnov, V. Endohedral metallofullerenes: a convenient gram-scale preparation. Tsuchiya, T. Selective extraction and purification of endohedral metallofullerene from carbon soot.
B , — Feng, Y. Steering metallofullerene electron spin in porous metal—organic framework.
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Bao, L. Crystallographic evidence for direct metal—metal bonding in a stable open-shell La2 I h -C80 derivative. Gatteschi, D. Nanomagnets Oxford Univ.
Press Chibotaru, L. Ab initio calculation of anisotropic magnetic properties of complexes. Unique definition of pseudospin Hamiltonians and their derivation. Aquilante, F. Molcas 8: new capabilities for multiconfigurational quantum chemical calculations across the periodic table. Junghans, K. Methane as a selectivity booster in the arc-discharge synthesis of endohedral fullerenes: selective synthesis of the single-molecule magnet Dy2TiC C80 and its congener Dy2TiC2 C Vieru, V.
Key role of frustration in suppression of magnetization blocking in single-molecule magnets. Zhang, Y. Giant exchange interaction in mixed lanthanides. Klemens, P. Localized modes and spin-lattice interactions. Mills, D. Electron spin-lattice relaxation by the two-phonon process.
Walker, M. Electron spin-lattice relaxation of a paramagnetic mass defect. Lunghi, A. The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets. Stoll, S. EasySpin, a comprehensive software package for spectral simulation and analysis in EPR. Mueller, U. Plus , Sparta, K. Sheldrick, G. Acta Cryst. C 71 , 3—8 Laikov, D. New possibilities in the study of molecular systems with the application of parallel computing. Neese, F. The ORCA program system. WIREs Comput. Pantazis, D. All-electron scalar relativistic basis sets for third-row transition metal atoms.
Theory Comput. VandeVondele, J. Quickstep: fast and accurate density functional calculations using a mixed gaussian and plane waves approach. Hutter, J. Humphrey, W. VMD - visual molecular dynamics. Graphics 14 , 33—38 Rotter, M. Using McPhase to calculate magnetic phase diagrams of rare earth compounds.
PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes. Download references. Manfred Weiss and Karine M. Magnetometry measurements were performed by D. Ab initio calculations were performed by S. Correspondence to Alexey A. Reprints and Permissions. Angewandte Chemie Dalton Transactions The Journal of Physical Chemistry C Inorganic Chemistry Accounts of Chemical Research By submitting a comment you agree to abide by our Terms and Community Guidelines.
If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate. Advanced search. Skip to main content. Subjects Chemical bonding Electronic structure of atoms and molecules Magnetic materials Magnetic properties and materials. Abstract Increasing the temperature at which molecules behave as single-molecule magnets is a serious challenge in molecular magnetism. Full size image. Full size table. Figure 4: Electrochemical properties and frontier MOs.
Figure 5: Magnetic properties of Dy 2 -I. Figure 6: Exchange interactions and the spectrum of the spin Hamiltonian in Dy 2 -I.
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Data availability The X-ray crystallographic coordinates for the structure reported in this Article have been deposited at the Cambridge Crystallographic Data Centre, under deposition number Additional information How to cite this article: Liu, F.