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There are 58791 results for: content related to: DFT calculations of the redox potentials for the nitrosyl complexes [Fe 2 (μ-RS) 2 (NO) 4 ] with R = alkyl

  1. Zacharie Roussin

    Journal of the Society of Dyers and Colourists

    Volume 69, Issue 4, April 1953, Pages: 115–119, R. Brightman

    Article first published online : 22 OCT 2008, DOI: 10.1111/j.1478-4408.1953.tb02820.x

  2. Über die Konstitution der Roussin'schen Salze

    Helvetica Chimica Acta

    Volume 26, Issue 1, 1 February 1943, Pages: 18–29, W. D. Treadwell and Dora Huber

    Article first published online : 24 OCT 2004, DOI: 10.1002/hlca.19430260105

  3. The Electronic Ground State of [Fe(CO)3(NO)]: A Spectroscopic and Theoretical Study

    Angewandte Chemie International Edition

    Volume 53, Issue 7, February 10, 2014, Pages: 1790–1794, M.Sc. Johannes E. M. N. Klein, Dr. Burkhard Miehlich, Dr. Michael S. Holzwarth, Prof. Dr. Matthias Bauer, Dipl.-Chem. Magdalena Milek, Dr. Marat M. Khusniyarov, Dr. Gerald Knizia, Prof. Dr. Hans-Joachim Werner and Prof. Dr. Bernd Plietker

    Article first published online : 30 JAN 2014, DOI: 10.1002/anie.201309767

  4. Spin-State-Dependent Properties of an Iron(III) Hydrogenase Mimic

    European Journal of Inorganic Chemistry

    Volume 2014, Issue 22, August 2014, Pages: 3587–3599, Eileen Edler and Matthias Stein

    Article first published online : 9 JUL 2014, DOI: 10.1002/ejic.201402295

  5. NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the Douglas–Kroll–Hess Hamiltonian

    Journal of Computational Chemistry

    Volume 34, Issue 12, 5 May 2013, Pages: 1013–1023, Terutaka Yoshizawa and Shigeyoshi Sakaki

    Article first published online : 19 JAN 2013, DOI: 10.1002/jcc.23224

  6. Structure–Property Relationships of Fe4S4 Clusters


    Volume 78, Issue 9, September 2013, Pages: 1082–1098, Maike Bergeler, Dr. Martin T. Stiebritz and Prof. Dr. Markus Reiher

    Article first published online : 19 JUL 2013, DOI: 10.1002/cplu.201300186

  7. The bacteriocidal effects of transition metal complexes containing the NO+ group on the food-spoilage bacterium Clostridium sporogenes

    FEMS Microbiology Letters

    Volume 98, Issue 1-3, November 1992, Pages: 67–70, Xiaoyuan Cui, Chris L. Joannou, Martin N. Hughes and Richard Cammack

    Article first published online : 27 MAR 2006, DOI: 10.1111/j.1574-6968.1992.tb05491.x

  8. Cell cytotoxicity of sodium nitrite, sodium nitroprusside and Roussin's black salt against Trichomonas vaginalis

    FEMS Microbiology Letters

    Volume 130, Issue 2-3, August 1995, Pages: 183–187, Jae-Sook Ryu and David Lloyd

    Article first published online : 17 JAN 2006, DOI: 10.1111/j.1574-6968.1995.tb07717.x

  9. The impact of the π-electron conjugation on 15N, 13C and 1H NMR chemical shifts in push–pull benzothiazolium salts. Experimental and theoretical study

    Magnetic Resonance in Chemistry

    Volume 45, Issue 11, November 2007, Pages: 942–953, Peter Hrobárik, Branislav Horváth, Ivica Sigmundová, Pavol Zahradník and Olga L. Malkina

    Article first published online : 8 OCT 2007, DOI: 10.1002/mrc.2074

  10. Spin Coupling in Roussin’s Red and Black Salts

    Chemistry - A European Journal

    Volume 16, Issue 34, September 10, 2010, Pages: 10397–10408, Dr. Kathrin H. Hopmann, Prof. Dr. Louis Noodleman and Prof. Dr. Abhik Ghosh

    Article first published online : 12 JUL 2010, DOI: 10.1002/chem.200903344

  11. Si⋅⋅⋅H Interligand Interactions in Cobalt(V) and Iridium(V) Bis(silyl)bis(hydride) Complexes


    Volume 78, Issue 9, September 2013, Pages: 1073–1081, Yevhen Horbatenko and Prof. Sergei F. Vyboishchikov

    Article first published online : 16 JUL 2013, DOI: 10.1002/cplu.201300174

  12. Probing the electronic structure, chemical bonding, and excitation spectra of [CuE]+/0/− (E = 14 group element) diatomics employing DFT and ab initio methods

    Journal of Computational Chemistry

    Volume 33, Issue 29, 5 November 2012, Pages: 2318–2331, Athanassios C. Tsipis and Dimitrios N. Gkarmpounis

    Article first published online : 24 JUL 2012, DOI: 10.1002/jcc.23065

  13. The Metal Core Structures in the Recombinant Escherichia coli Transcriptional Factor SoxR

    Chemistry - A European Journal

    Volume 18, Issue 9, February 27, 2012, Pages: 2565–2577, Dr. Feng-Chun Lo , Dr. Jyh-Fu Lee, Prof. Dr. Wen-Feng Liaw, Prof. Dr. I.-Jui Hsu, Dr. Yi-Fang Tsai, Prof. Dr. Sunney I. Chan and Dr. Steve S.-F. Yu

    Article first published online : 20 JAN 2012, DOI: 10.1002/chem.201100838

  14. Tungsten Redox Waves in [XMW11O40]n– (X = P, Si, Al and M = W, Mo, V, Nb, Ti) Keggin Compounds – Effect of Localised/Delocalised Charges

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 10-11, April 2013, Pages: 1910–1916, Pablo A. Aparicio, Josep M. Poblet and Xavier López

    Article first published online : 18 FEB 2013, DOI: 10.1002/ejic.201201384

  15. Nitric Oxide Compounds of Transition Metals

    Progress in Inorganic Chemistry, Volume 7

    B. F. G. Johnson, J. A. Mccleverty, Pages: 277–359, 2007

    Published Online : 9 MAR 2007, DOI: 10.1002/9780470166086.ch5

  16. Accurate Structure and Bonding Description of the Transition Metal-Disulfur Monoxide Complexes [(PMe3)2M(S2O)] (M = Ni, Pd, Pt): Grimme Dispersion Corrected DFT Study

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 640, Issue 2, February 2014, Pages: 370–379, Krishna K. Pandey, Sunil K. Patidar, Pankaj Patidar, Ravi Vishwakarma and Pankaj K. Bariya

    Article first published online : 17 OCT 2013, DOI: 10.1002/zaac.201300415

  17. Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

    Journal of Computational Chemistry

    Volume 34, Issue 12, 5 May 2013, Pages: 987–1004, Karina Kornobis, Neeraj Kumar, Piotr Lodowski, Maria Jaworska, Piotr Piecuch, Jesse J. Lutz, Bryan M. Wong and Pawel M. Kozlowski

    Article first published online : 19 JAN 2013, DOI: 10.1002/jcc.23204

  18. Thermodynamical Criteria of the Higher Selectivity of Zirconium Oxycations over Hafnium Oxycations towards Organophosphorus Ligands: Density Functional Theoretical Investigation

    European Journal of Inorganic Chemistry

    Volume 2014, Issue 9, March 2014, Pages: 1533–1545, Sk. Musharaf Ali

    Article first published online : 19 FEB 2014, DOI: 10.1002/ejic.201301630

  19. Computational modeling of standard reduction potentials of B12 cofactors

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 479–488, Manoj Kumar, Wlodzimierz Galezowski and Pawel M. Kozlowski

    Article first published online : 22 MAY 2012, DOI: 10.1002/qua.24155

  20. Hartree–Fock and density functional theory study of remote substituent effects on heterolytic Fe–N bond energies of p-G-C6H4NHFe(CO)25-C5H5) and p-G-C6H4N(COMe)Fe(CO)25-C5H5)

    Journal of Physical Organic Chemistry

    Volume 25, Issue 12, December 2012, Pages: 1275–1285, Qing Zeng, Zucheng Li, Yujie Zhang, Zhirong Sun, Yingzi Wang and Fubin Jiang

    Article first published online : 5 AUG 2012, DOI: 10.1002/poc.3014