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There are 34053 results for: content related to: Electronic Origin of Out-of-Plane Distortions in Porphyrins

  1. EPR, ENDOR, and DFT Studies on (β-Octahalo-meso-tetraarylporphyrin)copper Complexes: Characterization of the Metal(dmath image)−Porphyrin(a2u) Orbital Interaction

    European Journal of Inorganic Chemistry

    Volume 2005, Issue 8, April 2005, Pages: 1609–1615, Junlong Shao, Erik Steene, Brian M. Hoffman and Abhik Ghosh

    Version of Record online : 21 APR 2005, DOI: 10.1002/ejic.200400549

  2. Mössbauer, Crystallographic, and Density Functional Theoretical Investigation of the Electronic Structure of Bis-Ligated Low-Spin Iron(II) Phthalocyanines

    European Journal of Inorganic Chemistry

    Volume 2001, Issue 3, March 2001, Pages: 733–743, Victor N. Nemykin, Nagao Kobayashi, Victor Y. Chernii and Vitaly K. Belsky

    Version of Record online : 6 FEB 2001, DOI: 10.1002/1099-0682(200103)2001:3<733::AID-EJIC733>3.0.CO;2-2

  3. New Ionic Liquid Compounds Based on Tantalum Pentachloride TaCl5: Synthesis, Structural, and Spectroscopic Elucidation of the (μ-Oxido)-Chloridotantalates(V) [BMPy][TaCl6], [BMPy]4[(TaCl6)2(Ta2OCl10)], and [EMIm]2[Ta2OCl10]

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 636, Issue 15, December 2010, Pages: 2633–2640, Tao Xie, Wolfgang Brockner and PD Dr. Mimoza Gjikaj

    Version of Record online : 22 SEP 2010, DOI: 10.1002/zaac.201000213

  4. Is This a Chemical Bond? A Theoretical Study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe)

    Chemistry - A European Journal

    Volume 13, Issue 29, October 5, 2007, Pages: 8256–8270, Andreas Krapp and Gernot Frenking

    Version of Record online : 18 JUL 2007, DOI: 10.1002/chem.200700467

  5. Like (CO)4, Do (CS)4 and (CSe)4 Have a Triplet Ground State?

    Chemistry - A European Journal

    Volume 19, Issue 18, April 26, 2013, Pages: 5687–5693, Prof. Xiaoguang Bao, Dr. David A. Hrovat and Prof. Weston Thatcher Borden

    Version of Record online : 1 MAR 2013, DOI: 10.1002/chem.201204049

  6. Effects of Chain Length and Au Spin-Orbit Coupling on 3(ππ*) Emission from Bridging Cn2− Units: Theoretical Characterization of Spin-Forbidden Radiative Transitions in Metal-Capped One-Dimensional Carbon Chains [H3PAu(C[TRIPLE BOND]C)nAuPH3]

    Chemistry - A European Journal

    Volume 10, Issue 8, April 19, 2004, Pages: 1920–1925, Zexing Cao and Qianer Zhang

    Version of Record online : 7 APR 2004, DOI: 10.1002/chem.200305572

  7. First-Principle Calculation and Far Infrared Measurement for Infrared-Active Modes of Ba(Mg1/3Ta2/3)O3

    Journal of the American Ceramic Society

    Volume 93, Issue 11, November 2010, Pages: 3782–3787, Chun-Hai Wang, Guang-Hua Liu, Xi-Ping Jing, Guang-Shan Tian, Xiang Lu and Jun Shao

    Version of Record online : 27 SEP 2010, DOI: 10.1111/j.1551-2916.2010.03923.x

  8. What Is the Difference between the Manganese Porphyrin and Corrole Analogues of Cytochrome P450's Compound I?

    Chemistry - A European Journal

    Volume 7, Issue 22, November 19, 2001, Pages: 4954–4960, Sam P. de Visser, François Ogliaro, Zeev Gross and Sason Shaik

    Version of Record online : 12 NOV 2001, DOI: 10.1002/1521-3765(20011119)7:22<4954::AID-CHEM4954>3.0.CO;2-U

  9. Synthesis, Electronic Characterisation and Significant Second-Order Non-Linear Optical Responses of meso-Tetraphenylporphyrins and Their ZnII Complexes Carrying a Push or Pull Group in the β Pyrrolic Position

    European Journal of Inorganic Chemistry

    Volume 2005, Issue 19, October 2005, Pages: 3857–3874, Elisabetta Annoni, Maddalena Pizzotti, Renato Ugo, Silvio Quici, Tamara Morotti, Maurizio Bruschi and Patrizia Mussini

    Version of Record online : 4 AUG 2005, DOI: 10.1002/ejic.200500292

  10. Theoretical Search for Anions Possessing Large Electron Binding Energies

    European Journal of Inorganic Chemistry

    Volume 2003, Issue 20, October 2003, Pages: 3790–3797, Monika Sobczyk, Agnieszka Sawicka and Piotr Skurski

    Version of Record online : 13 OCT 2003, DOI: 10.1002/ejic.200300180

  11. The Role of the Electronic Structure of the Porphyrin as Viewed by EPR/ENDOR Methods in the Efficiency of Biomimetic Model Compounds for Photosynthesis

    European Journal of Organic Chemistry

    Volume 2001, Issue 23, December 2001, Pages: 4379–4389, Martina Huber

    Version of Record online : 30 OCT 2001, DOI: 10.1002/1099-0690(200112)2001:23<4379::AID-EJOC4379>3.0.CO;2-6

  12. The “Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C−H Hydroxylation by Cytochrome P450

    European Journal of Inorganic Chemistry

    Volume 2004, Issue 2, January 2004, Pages: 207–226, Sason Shaik, Shimrit Cohen, Samuël P. de Visser, Pankaz K. Sharma, Devesh Kumar, Sebastian Kozuch, François Ogliaro and David Danovich

    Version of Record online : 14 JAN 2004, DOI: 10.1002/ejic.200300448

  13. Ligand-Field Strength and Symmetry-Restricted Covalency in CuII Complexes – a Near-Edge X-ray Absorption Fine Structure Spectroscopy and Time-Dependent DFT Study

    European Journal of Inorganic Chemistry

    Volume 2015, Issue 16, June 2015, Pages: 2707–2713, Giulia Mangione, Luciano Pandolfo, Mauro Sambi, Giovanni Ligorio, Marco Vittorio Nardi, Albano Cossaro, Luca Floreano and Maurizio Casarin

    Version of Record online : 8 MAY 2015, DOI: 10.1002/ejic.201500222

  14. Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation

    Angewandte Chemie

    Volume 114, Issue 9, May 3, 2002, Pages: 1628–1630, Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens, Alessandro Soncini and Erich Steiner

    Version of Record online : 2 MAY 2002, DOI: 10.1002/1521-3757(20020503)114:9<1628::AID-ANGE1628>3.0.CO;2-0

  15. Planar Tetracoordinate Carbon Atoms in M4C Square Sheets (M = Ni, Pd, and Pt) Sandwiched between the Large π-Coordinating Ligands [C8H8]2– and [C9H9]

    European Journal of Inorganic Chemistry

    Volume 2010, Issue 32, November 2010, Pages: 5156–5160, Jin-Chang Guo and Si-Dian Li

    Version of Record online : 29 SEP 2010, DOI: 10.1002/ejic.201000620

  16. Synthesis, Spectral Characterisation and Crystal Structure of (1,24-Bicyclophthalocyaninato)bismuth(III)

    European Journal of Inorganic Chemistry

    Volume 2001, Issue 5, May 2001, Pages: 1343–1352, Karim Benihya, Mireille Mossoyan-Déneux and Michel Giorgi

    Version of Record online : 27 MAR 2001, DOI: 10.1002/1099-0682(200105)2001:5<1343::AID-EJIC1343>3.0.CO;2-E

  17. Structural and Bonding Analyses on a Homologous Metal–Metal Bond Guest–Host Series M2@C50X10 (M = Zn, Cd, Hg; X = CH, N, B)

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 12, April 2013, Pages: 2220–2230, Yan-Chun Liu, Shui-Xing Wu, Yu-He Kan, Hou-Yu Zhang and Zhong-Min Su

    Version of Record online : 18 FEB 2013, DOI: 10.1002/ejic.201201416

  18. Molecular structures and electron distributions of higher-valent iron and manganese porphyrins. Density functional theory calculations and some preliminary open-shell coupled-cluster results

    Journal of Porphyrins and Phthalocyanines

    Volume 5, Issue 3, March 2001, Pages: 345–356, Abhik Ghosh, Torgil Vangberg, Emmanuel Gonzalez and Peter Taylor

    Version of Record online : 9 MAR 2001, DOI: 10.1002/jpp.317

  19. P4 Activation at Ni0: Selective Formation of an NHC-Stabilized, Dinuclear Nickel Complex [Ni2(iPr2Im)4(μ,η2:2-P2)]

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 12, April 2013, Pages: 2051–2058, Bartosz Zarzycki, Thomas Zell, David Schmidt and Udo Radius

    Version of Record online : 28 FEB 2013, DOI: 10.1002/ejic.201201368

  20. Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation

    Angewandte Chemie International Edition

    Volume 41, Issue 9, May 3, 2002, Pages: 1558–1560, Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens, Alessandro Soncini and Erich Steiner

    Version of Record online : 2 MAY 2002, DOI: 10.1002/1521-3773(20020503)41:9<1558::AID-ANIE1558>3.0.CO;2-G