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There are 10155 results for: content related to: Investigation on the dissolution of Mn ions from LiMn 2 O 4 cathode in the application of lithium ion batteries: First principle molecular orbital method

  1. The nature of chemical bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 453–473, K. Yamaguchi, S. Yamanaka, H. Isobe, T. Saito, K. Kanda, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, H. Nakamura, M. Shoji and Y. Yoshioka

    Article first published online : 17 JUL 2012, DOI: 10.1002/qua.24280

  2. Theory of chemical bonds in metalloenzymes. XV. Local singlet and triplet diradical mechanisms for radical coupling reactions in the oxygen evolution complex

    International Journal of Quantum Chemistry

    Volume 110, Issue 15, December 2010, Pages: 3101–3128, Kizashi Yamaguchi, Mitsuo Shoji, Toru Saito, Hiroshi Isobe, Satomichi Nishihara, Kenichi Koizumi, Satoru Yamada, Takashi Kawakami, Yasutaka Kitagawa, Shusuke Yamanaka and Mitsutaka Okumura

    Article first published online : 23 SEP 2010, DOI: 10.1002/qua.22914

  3. You have free access to this content
    Oxidation numbers in the study of metabolism

    Biochemistry and Molecular Biology Education

    Volume 30, Issue 5, September 2002, Pages: 288–292, Ronald Bentley, James Franzen and Thomas G. Chasteen

    Article first published online : 3 NOV 2006, DOI: 10.1002/bmb.2002.494030050114

  4. Untersuchungen an Beliten und Dicalciumsilicaten. I. Untersuchungen über Gitterposition und Oxidationszahl des Mangans in Mn-dotiertem Ca2SiO4

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 524, Issue 5, Mai 1985, Pages: 168–176, Dr. Fred von Lampe

    Article first published online : 9 NOV 2004, DOI: 10.1002/zaac.19855240522

  5. Radial-Position-Controlled Doping of CdS/ZnS Core/Shell Nanocrystals: Surface Effects and Position-Dependent Properties

    Chemistry - A European Journal

    Volume 15, Issue 13, March 16, 2009, Pages: 3186–3197, Yongan Yang, Ou Chen, Alexander Angerhofer and Y. Charles Cao

    Article first published online : 10 FEB 2009, DOI: 10.1002/chem.200802295

  6. Chemical shifts of the K-Absorption edge of Mn in some mixed oxidic spinels

    physica status solidi (b)

    Volume 96, Issue 1, 1 November 1979, Pages: 259–262, R. M. Nayak and B. D. Padalia

    Article first published online : 8 FEB 2006, DOI: 10.1002/pssb.2220960126

  7. 2/Kβ1,3 X-ray intensity ratios of arsenic, selenium and bromine in various chemical states (chemical state analyses of As, Se and Br by X-ray method. 4)

    X-Ray Spectrometry

    Volume 16, Issue 2, March 1987, Pages: 73–79, Masaaki Iwatsuki and Tsutomu Fukasawa

    Article first published online : 11 APR 2005, DOI: 10.1002/xrs.1300160207

  8. The electronic structure and magnetic property of metal-oxo, porphyrin manganese-oxo, and μ-oxo-bridged manganese porphyrin dimer

    International Journal of Quantum Chemistry

    Volume 100, Issue 6, 20 December 2004, Pages: 943–956, K. Koizumi, M. Shoji, Y. Nishiyama, Y. Maruno, Y. Kitagawa, K. Soda, S. Yamanaka, M. Okumura and K. Yamaguchi

    Article first published online : 29 JUL 2004, DOI: 10.1002/qua.20152

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    Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 283–299, Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupský, Tran Nguyen Lan and Masaaki Saitow

    Article first published online : 22 OCT 2014, DOI: 10.1002/qua.24808

  10. Do Divalent [{HC(CR′NR′′)2}E] Compounds Contain E(I) or E(III) (E = B, Al, Ga, In)? On the Correspondence of Formal Oxidation Numbers, Lewis Structures, and Reactivity

    European Journal of Inorganic Chemistry

    Volume 2002, Issue 7, July 2002, Pages: 1854–1863, Markus Reiher and Andreas Sundermann

    Article first published online : 6 JUN 2002, DOI: 10.1002/1099-0682(200207)2002:7<1854::AID-EJIC1854>3.0.CO;2-1

  11. The effect of oxidation state on the intensities of Kβ5 and Kβ″ of 3d-transition elements

    X-Ray Spectrometry

    Volume 4, Issue 4, October 1975, Pages: 186–189, E. Asada, T. Takiguchi and Y. Suzuki

    Article first published online : 10 APR 2005, DOI: 10.1002/xrs.1300040408

  12. Spectroscopy of Transition-Group Complexes

    Advances in Chemical Physics, Volume 5

    I. Prigogine, Pages: 33–146, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470143513.ch2

  13. The Difference Between Valence and Oxidation Number

    School Science and Mathematics

    Volume 71, Issue 1, January 1971, Pages: 79–80, R. L. Neman and Ralph H. Logan Jr.

    Article first published online : 17 MAR 2010, DOI: 10.1111/j.1949-8594.1971.tb09846.x

  14. Oxidation Number

    Short article

    Hawley's Condensed Chemical Dictionary

    Published Online : 15 MAR 2007, DOI: 10.1002/9780470114735.hawley12165

  15. Growth and micro-luminescence from diluted magnetic quantum dots

    physica status solidi (c)

    Volume 8, Issue 7-8, July 2011, Pages: 2515–2518, Piotr Wojnar, Grzegorz Karczewski, Jan Suffczyński, Mateusz Goryca, Andrzej Golnik, Katarzyna Kowalik and Jacek Kossut

    Article first published online : 7 JUN 2011, DOI: 10.1002/pssc.201001131

  16. Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 525–541, K. Yamaguchi, H. Isobe, S. Yamanaka, T. Saito, K. Kanda, M. Shoji, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya and M. Okumura

    Article first published online : 13 APR 2012, DOI: 10.1002/qua.24117

  17. Fe-Doped ZnO Nanoparticles: The Oxidation Number and Local Charge on Iron, Studied by 57Fe Mößbauer Spectroscopy and DFT Calculations

    Chemistry - A European Journal

    Volume 19, Issue 10, March 4, 2013, Pages: 3287–3291, M. Sc. Jianping Xiao, Dr. Agnieszka Kuc, Dr. Suman Pokhrel, Prof. Dr.-Ing. Lutz Mädler, Prof. Dr. Rainer Pöttgen, Dipl.-Chem. Florian Winter, Prof. Dr. Thomas Frauenheim and Prof. Dr. Thomas Heine

    Article first published online : 10 FEB 2013, DOI: 10.1002/chem.201204308

  18. Investigation of the change in the electronic properties of FeF3 by the introduction of oxygen using a molecular orbital method

    International Journal of Quantum Chemistry

    Volume 114, Issue 5, 5 March 2014, Pages: 340–344, Yongseon Kim, Sujin Choi and Subin Kim

    Article first published online : 10 OCT 2013, DOI: 10.1002/qua.24566

  19. Possible mechanisms of water splitting reaction based on proton and electron release pathways revealed for CaMn4O5 cluster of PSII refined to 1.9 Å X-ray resolution

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 253–276, T. Saito, S. Yamanaka, K. Kanda, H. Isobe, Y. Takano, Y. Shigeta, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, M. Shoji, Y. Yoshioka and K. Yamaguchi

    Article first published online : 25 AUG 2011, DOI: 10.1002/qua.23218

  20. Determination of the number of Mn ions inside CdMnTe self assembled quantum dots

    physica status solidi (c)

    Volume 3, Issue 4, March 2006, Pages: 853–856, P. Wojnar, J. Suffczyński, K. Kowalik, A. Golnik, G. Karczewski and J. Kossut

    Article first published online : 7 MAR 2006, DOI: 10.1002/pssc.200564608