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There are 18994 results for: content related to: Study of the Diradicaloid Character in a Prototypical Pancake-Bonded Dimer: The Stacked Tetracyanoethylene (TCNE) Anion Dimer and the Neutral K 2 TCNE 2 Complex

  1. Tetracyanoethylene (TCNE): The Characteristic Geometries and Vibrational Absorptions of Its Numerous Structures

    Angewandte Chemie International Edition

    Volume 45, Issue 16, April 10, 2006, Pages: 2508–2525, Joel S. Miller

    Article first published online : 4 APR 2006, DOI: 10.1002/anie.200503277

  2. Unusually Long, Multicenter, Cationδ+⋅⋅⋅Anionδ− Bonding Observed for Several Polymorphs of [TTF][TCNE]

    Chemistry - A European Journal

    Volume 17, Issue 34, August 16, 2011, Pages: 9326–9341, Marçal Capdevila-Cortada, Prof. Juan J. Novoa, Joshua D. Bell, Dr. Curtis E. Moore, Prof. Arnold L. Rheingold and Prof. Joel S. Miller

    Article first published online : 26 JUL 2011, DOI: 10.1002/chem.201100922

  3. Exceptionally Long (≥2.9 Å) CC Bonding Interactions in π-[TCNE]22− Dimers: Two-Electron Four-Center Cation-Mediated CC Bonding Interactions Involving π* Electrons

    Chemistry - A European Journal

    Volume 8, Issue 21, November 4, 2002, Pages: 4894–4908, Rico E. Del Sesto, Joel S. Miller, Pilar Lafuente and Juan J. Novoa

    Article first published online : 22 OCT 2002, DOI: 10.1002/1521-3765(20021104)8:21<4894::AID-CHEM4894>3.0.CO;2-2

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    The origin of the two-electron/four-centers C[BOND]C bond in π-TCNE22 dimers: Electrostatic or dispersion?

    Journal of Computational Chemistry

    Volume 28, Issue 1, 15 January 2007, Pages: 326–334, Iñigo García-Yoldi, Fernando Mota and Juan J. Novoa

    Article first published online : 15 NOV 2006, DOI: 10.1002/jcc.20525

  5. Tetracyanethylen: die charakteristischen Geometrien und Schwingungsabsorptionen seiner zahlreichen Strukturen

    Angewandte Chemie

    Volume 118, Issue 16, April 10, 2006, Pages: 2570–2588, Joel S. Miller

    Article first published online : 4 APR 2006, DOI: 10.1002/ange.200503277

  6. Ligand Influence on Connectivity and Processing: Magnetic Crystals Based on Metalloceniums and Films of TCNE-Based Magnets (TCNE=Tetracyanoethylene)

    Chemistry - A European Journal

    Volume 13, Issue 6, February 12, 2007, Pages: 1650–1663, Dominique de Caro, Christophe Faulmann and Lydie Valade

    Article first published online : 22 JAN 2007, DOI: 10.1002/chem.200600965

  7. Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy

    Angewandte Chemie

    Volume 125, Issue 25, June 17, 2013, Pages: 6549–6553, Prof. Juan Casado, Paula Mayorga Burrezo, Prof. Francisco J. Ramírez, Prof. Juan T. López Navarrete, Dr. Saul H. Lapidus, Prof. Peter W. Stephens, Hoa-Lan Vo, Prof. Joel S. Miller, Prof. Fernando Mota and Prof. Juan J. Novoa

    Article first published online : 16 APR 2013, DOI: 10.1002/ange.201207813

  8. Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy

    Angewandte Chemie International Edition

    Volume 52, Issue 25, June 17, 2013, Pages: 6421–6425, Prof. Juan Casado, Paula Mayorga Burrezo, Prof. Francisco J. Ramírez, Prof. Juan T. López Navarrete, Dr. Saul H. Lapidus, Prof. Peter W. Stephens, Hoa-Lan Vo, Prof. Joel S. Miller, Prof. Fernando Mota and Prof. Juan J. Novoa

    Article first published online : 16 APR 2013, DOI: 10.1002/anie.201207813

  9. Exceptionally Long (≥2.9 Å) C−C Bonds between [TCNE] Ions: Two-Electron, Four-Center π*–π* C−C Bonding in π-[TCNE]22−

    Angewandte Chemie International Edition

    Volume 40, Issue 13, July 2, 2001, Pages: 2540–2545, Juan J. Novoa, Pilar Lafuente, Rico E. Del Sesto and Joel S. Miller

    Article first published online : 28 JUN 2001, DOI: 10.1002/1521-3773(20010702)40:13<2540::AID-ANIE2540>3.0.CO;2-O

  10. Exceptionally Long (≥2.9 Å) C−C Bonds between [TCNE] Ions: Two-Electron, Four-Center π*–π* C−C Bonding in π-[TCNE]22−

    Angewandte Chemie

    Volume 113, Issue 13, July 2, 2001, Pages: 2608–2613, Juan J. Novoa, Pilar Lafuente, Rico E. Del Sesto and Joel S. Miller

    Article first published online : 2 JUL 2001, DOI: 10.1002/1521-3757(20010702)113:13<2608::AID-ANGE2608>3.0.CO;2-N

  11. Crystal and electronic structure of the room temperature organometallic ferrimagnet V(TCNE)2. Analysis of numerical DoS and magnetic properties as related to orbital and spin-Hamiltonian models

    International Journal of Quantum Chemistry

    Volume 111, Issue 11, September 2011, Pages: 2490–2509, Andrei L. Tchougréeff and Richard Dronskowski

    Article first published online : 2 JUN 2010, DOI: 10.1002/qua.22661

  12. MP2 and DFT study of IR spectra of TCNE-methylsubstituted benzene complexes: Is charge transfer important?

    International Journal of Quantum Chemistry

    Volume 110, Issue 9, 5 August 2010, Pages: 1712–1728, Ondrej Kysel, Šimon Budzák, Pavel Mach and Miroslav Medved̆

    Article first published online : 9 SEP 2009, DOI: 10.1002/qua.22321

  13. Theoretical Study on the Structures and Electronic Spectra of TCNE2−

    ChemPhysChem

    Volume 7, Issue 2, February 13, 2006, Pages: 508–513, Inmaculada García Cuesta, José Sánchez-Marín and Alfredo M. J. Sánchez de Merás

    Article first published online : 6 FEB 2006, DOI: 10.1002/cphc.200500468

  14. MP2, DFT-D, and PCM study of the HMB–TCNE complex: Thermodynamics, electric properties, and solvent effects

    International Journal of Quantum Chemistry

    Volume 108, Issue 9, 2008, Pages: 1533–1545, Ondrej Kysel, Šimon Budzák, Miroslav Medveď and Pavel Mach

    Article first published online : 11 APR 2008, DOI: 10.1002/qua.21685

  15. Cross-Linked Layered Structure of Magnetically Ordered [Fe(TCNE)2]⋅z CH2Cl2 Determined by Rietveld Refinement of Synchrotron Powder Diffraction Data

    Angewandte Chemie International Edition

    Volume 46, Issue 9, February 19, 2007, Pages: 1521–1524, Jae-Hyuk Her, Peter W. Stephens, Konstantin I. Pokhodnya, Michael Bonner and Joel S. Miller

    Article first published online : 26 JAN 2007, DOI: 10.1002/anie.200604164

  16. Cross-Linked Layered Structure of Magnetically Ordered [Fe(TCNE)2]⋅z CH2Cl2 Determined by Rietveld Refinement of Synchrotron Powder Diffraction Data

    Angewandte Chemie

    Volume 119, Issue 9, February 19, 2007, Pages: 1543–1546, Jae-Hyuk Her, Peter W. Stephens, Konstantin I. Pokhodnya, Michael Bonner and Joel S. Miller

    Article first published online : 26 JAN 2007, DOI: 10.1002/ange.200604164

  17. Orientational Preference of Long, Multicenter Bonds in Radical Anion Dimers: A Case Study of π-[TCNB]22− and π-[TCNP]22−

    Chemistry - A European Journal

    Dr. Marçal Capdevila-Cortada, Prof. Joel S. Miller and Prof. Juan J. Novoa

    Article first published online : 26 FEB 2015, DOI: 10.1002/chem.201406028

  18. A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)2

    Journal of Computational Chemistry

    Volume 29, Issue 13, October 2008, Pages: 2220–2233, Anderi L. Tchougréeff and Richard Dronskowski

    Article first published online : 1 MAY 2008, DOI: 10.1002/jcc.20987

  19. Intermolecular Interactions in Weak Donor–Acceptor Complexes from Symmetry-Adapted Perturbation and Coupled-Cluster Theory: Tetracyanoethylene–Benzene and Tetracyanoethylene–p-Xylene

    ChemPhysChem

    Volume 13, Issue 11, August 6, 2012, Pages: 2769–2776, Dennis Kuchenbecker and Prof. Dr. Georg Jansen

    Article first published online : 13 JUN 2012, DOI: 10.1002/cphc.201200164

  20. N,7,7-Tricyanoquinomethanimine (TCQMI) Based Organic Magnetic Materials

    Advanced Functional Materials

    Volume 22, Issue 9, May 9, 2012, Pages: 1802–1811, Jordan L. Arthur, Saul H. Lapidus, Curtis E. Moore, Arnold L. Rheingold, Peter W. Stephens and Joel S. Miller

    Article first published online : 14 MAR 2012, DOI: 10.1002/adfm.201101937