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Exploring the Poten...
Exploring the Potential of Fulvalene Dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis
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- Börjesson, Karl, 1982 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Coso, D. (author)
- University of California at Berkeley
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- Gray, Victor, 1988 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Grossman, J. C. (author)
- Massachusetts Institute of Technology (MIT)
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Guan, J. Q. (author)
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- Harris, C. B. (author)
- Massachusetts Institute of Technology (MIT)
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- Hertkorn, N. (author)
- University of California at Berkeley,Jilin University
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- Hou, Z. R. (author)
- University of California at Berkeley
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- Kanai, Y. (author)
- Lawrence Berkeley National Laboratory,The University of North Carolina at Chapel Hill
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- Lee, D. (author)
- The University of North Carolina at Chapel Hill
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- Lomont, J. P. (author)
- University of California at Berkeley
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- Majumdar, A. (author)
- University of California at Berkeley,Stanford University
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- Meier, S. K. (author)
- University of California at Berkeley
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- Moth-Poulsen, Kasper, 1978 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Myrabo, R. L. (author)
- University of California at Berkeley
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- Nguyen, S. C. (author)
- University of California at Berkeley
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- Segalman, R. A. (author)
- University of California at Berkeley
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- Srinivasan, V. (author)
- Indian Institute of Science
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- Tolman, W. B. (author)
- University of California at Berkeley
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- Vinokurov, N. (author)
- University of California at Berkeley
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- Vollhardt, K. P. C. (author)
- University of California at Berkeley
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- Weidman, T. W. (author)
- University of California at Berkeley
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(creator_code:org_t)
- 2014-10-03
- 2014
- English.
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In: Chemistry - A European Journal. - : Wiley. - 1521-3765 .- 0947-6539. ; 20:47, s. 15587-15604
- Related links:
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http://dx.doi.org/10...
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https://research.cha...
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Abstract
Subject headings
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- A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu(2) in its function as a molecular solar thermal energy storage framework is presented. It includes DFT calculations probing the effect of substituents, other metals, and CO exchange for other ligands on Delta H-storage. Experimentally, the system is shown to be robust in as much as it tolerates a number of variations, except for the identity of the metal and certain substitution patterns. Failures include 1,1',3,3'-tetra-tert-butyl (4), 1,2,2',3'-tetraphenyl (9), diiron (28), diosmium (24), mixed iron-ruthenium (27), dimolybdenum (29), and di-tungsten (30) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO3-SiO2 as a good candidate, although catalyst decomposition remains a challenge.
Subject headings
- NATURVETENSKAP -- Kemi -- Polymerkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Polymer Chemistry (hsv//eng)
Keyword
- photochemistry
- isomerization
- iron
- ruthenium
- ab initio calculations
Publication and Content Type
- art (subject category)
- ref (subject category)
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- By the author/editor
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Börjesson, Karl, ...
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Coso, D.
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Gray, Victor, 19 ...
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Grossman, J. C.
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Guan, J. Q.
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Harris, C. B.
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show more...
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Hertkorn, N.
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Hou, Z. R.
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Kanai, Y.
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Lee, D.
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Lomont, J. P.
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Majumdar, A.
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Meier, S. K.
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Moth-Poulsen, Ka ...
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Myrabo, R. L.
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Nguyen, S. C.
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Segalman, R. A.
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Srinivasan, V.
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Tolman, W. B.
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Vinokurov, N.
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Vollhardt, K. P. ...
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Weidman, T. W.
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Polymer Chemistr ...
- Articles in the publication
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Chemistry - A Eu ...
- By the university
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Chalmers University of Technology