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There are 17111 results for: content related to: Magnetism-Tunable Oligoacene Dioxide Diradicals: Promising Magnetic Oligoacene-Like Molecules

  1. Computational investigations on covalent dimerization/oligomerization of polyacenes: Is it relevant to soot formation?

    Journal of Computational Chemistry

    Volume 33, Issue 21, 5 August 2012, Pages: 1762–1772, D. Koley, E. Arunan and S. Ramakrishnan

    Version of Record online : 21 MAY 2012, DOI: 10.1002/jcc.23014

  2. Multi-zinc-expanded graphene patches: Tetraradical versus diradical character

    Journal of Computational Chemistry

    Volume 33, Issue 21, 5 August 2012, Pages: 1773–1780, Hongfang Yang, Qisheng Song, Xinyu Song and Yuxiang Bu

    Version of Record online : 21 MAY 2012, DOI: 10.1002/jcc.23018

  3. Relationship between orbital energy gaps and excitation energies for long-chain systems

    Journal of Computational Chemistry

    Volume 37, Issue 16, June 15, 2016, Pages: 1451–1462, Takao Tsuneda, Raman K. Singh and Ayako Nakata

    Version of Record online : 24 MAR 2016, DOI: 10.1002/jcc.24357

  4. Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings

    Chemistry - A European Journal

    Volume 22, Issue 4, January 22, 2016, Pages: 1493–1500, Dr. Ryohei Kishi, Shoki Ochi, Shioh Izumi, Akihiro Makino, Takanori Nagami, Jun-ya Fujiyoshi, Naoyuki Matsushita, Michika Saito and Prof. Dr. Masayoshi Nakano

    Version of Record online : 16 DEC 2015, DOI: 10.1002/chem.201503705

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    Open-Shell-Character-Based Molecular Design Principles: Applications to Nonlinear Optics and Singlet Fission

    The Chemical Record

    Volume 17, Issue 1, January 2017, Pages: 27–62, Masayoshi Nakano

    Version of Record online : 5 AUG 2016, DOI: 10.1002/tcr.201600094

  6. Prediction of excited-state properties of oligoacene crystals using polarizable continuum model-tuned range-separated hybrid functional approach

    Journal of Computational Chemistry

    Volume 38, Issue 9, April 5, 2017, Pages: 569–575, Zhubin Hu, Bin Zhou, Zhenrong Sun and Haitao Sun

    Version of Record online : 19 JAN 2017, DOI: 10.1002/jcc.24736

  7. Chemical activation reactions of cyclic alkanes and ethers and tricyclodecane ring-opened diradicals with O2: Thermochemistry, reaction paths, kinetics, and modeling

    International Journal of Chemical Kinetics

    Volume 44, Issue 4, April 2012, Pages: 232–256, Itsaso Auzmendi-Murua, Jason Hudzik and Joseph W. Bozzelli

    Version of Record online : 16 FEB 2012, DOI: 10.1002/kin.20630

  8. The 1Δg Dioxygen Ene Reaction with Propene: A Density Functional and Multireference Perturbation Theory Mechanistic Study

    Chemistry - A European Journal

    Volume 9, Issue 11, June 6, 2003, Pages: 2616–2626, Andrea Maranzana, Giovanni Ghigo and Glauco Tonachini

    Version of Record online : 28 MAY 2003, DOI: 10.1002/chem.200204522

  9. Understanding the Electronic Structure of Larger Azaacenes through DFT Calculations

    Israel Journal of Chemistry

    Volume 54, Issue 5-6, June 2014, Pages: 699–702, Junkuo Gao and Qichun Zhang

    Version of Record online : 1 APR 2014, DOI: 10.1002/ijch.201400003

  10. Intramolecular Singlet Fission in Oligoacene Heterodimers

    Angewandte Chemie International Edition

    Volume 55, Issue 10, March 1, 2016, Pages: 3373–3377, Samuel N. Sanders, Dr. Elango Kumarasamy, Andrew B. Pun, Dr. Michael L. Steigerwald, Dr. Matthew Y. Sfeir and Prof. Luis M. Campos

    Version of Record online : 2 FEB 2016, DOI: 10.1002/anie.201510632

  11. The thermal C2–C6 (Schmittel)/ene cyclization of enyne–allenes – crossing the boundary between classical and nonstatistical kinetics

    Journal of Physical Organic Chemistry

    Volume 25, Issue 3, March 2012, Pages: 182–197, Michael Schmittel, Chandrasekhar Vavilala and Mehmet Emin Cinar

    Version of Record online : 28 JUL 2011, DOI: 10.1002/poc.1887

  12. Diradicals and Diradicaloids in Natural Orbital Functional Theory

    ChemPhysChem

    Volume 12, Issue 6, April 18, 2011, Pages: 1061–1065, Prof. Dr. Xabier Lopez, Dr. Fernando Ruipérez, Prof. Dr. Mario Piris, Dr. Jon M. Matxain and Prof. Dr. Jesus M. Ugalde

    Version of Record online : 5 APR 2011, DOI: 10.1002/cphc.201100136

  13. Luminescence Color Tuning from Blue to Near Infrared of Stable Luminescent Solid Materials Based on Bis-o-Carborane-Substituted Oligoacenes

    Chemistry – An Asian Journal

    Volume 12, Issue 16, August 17, 2017, Pages: 2134–2138, Hirofumi Naito, Dr. Kenta Nishino, Prof. Yasuhiro Morisaki, Dr. Kazuo Tanaka and Prof. Yoshiki Chujo

    Version of Record online : 11 JUL 2017, DOI: 10.1002/asia.201700815

  14. How Diradicaloid Is a Stable Diradical?

    ChemPhysChem

    Volume 4, Issue 5, May 16, 2003, Pages: 522–525, Yousung Jung and Martin Head-Gordon

    Version of Record online : 9 MAY 2003, DOI: 10.1002/cphc.200200668

  15. Mechanism of the Forbidden [3s,5s]-Sigmatropic Shift: Orbital Symmetry Influences Stepwise Mechanisms Involving Diradical Intermediates

    Chemistry - A European Journal

    Volume 8, Issue 6, March 15, 2002, Pages: 1290–1299, Andrew G. Leach, Saron Catak and K. N. Houk

    Version of Record online : 6 MAR 2002, DOI: 10.1002/1521-3765(20020315)8:6<1290::AID-CHEM1290>3.0.CO;2-K

  16. Experimental and Theoretical Studies of Magnetic Exchange in Silole-Bridged Diradicals

    Chemistry - A European Journal

    Volume 12, Issue 21, July 17, 2006, Pages: 5547–5562, Nans Roques, Philippe Gerbier, Ulrich Schatzschneider, Jean-Pascal Sutter, Philippe Guionneau, José Vidal-Gancedo, Jaume Veciana, Eva Rentschler and Christian Guérin

    Version of Record online : 8 MAY 2006, DOI: 10.1002/chem.200501280

  17. Theoretical insight into the open-shell singlet diradical character of single molecular solvated dielectron e2@CnFn (n = 20, 28, 36, 50, 60, and 80)

    Journal of Physical Organic Chemistry

    Volume 30, Issue 5, May 2017, Yin-Feng Wang, Jiangen Huang and Zhi-Ru Li

    Version of Record online : 12 AUG 2016, DOI: 10.1002/poc.3625

  18. C(sp2)-Coupled Nitronyl Nitroxide and Iminonitroxide Diradicals

    Chemistry - A European Journal

    Volume 20, Issue 10, March 3, 2014, Pages: 2793–2803, Dr. Svyatoslav Tolstikov, Prof. Evgeny Tretyakov, Dr. Sergey Fokin, Dr. Elizaveta Suturina, Prof. Galina Romanenko, Dr. Artem Bogomyakov, Dr. Dmitri Stass, Dr. Alexander Maryasov, Prof. Matvey Fedin, Prof. Nina Gritsan and Prof. Victor Ovcharenko

    Version of Record online : 19 FEB 2014, DOI: 10.1002/chem.201302681

  19. The Low Energy of Concert in Many Symmetry-Allowed Cycloadditions Supports a Stepwise-Diradical Mechanism

    International Journal of Chemical Kinetics

    Volume 45, Issue 7, July 2013, Pages: 415–428, Raymond A. Firestone

    Version of Record online : 25 APR 2013, DOI: 10.1002/kin.20776

  20. Theoretical Study on the Relationship between Diradical Character and Second Hyperpolarizabilities of Four-Membered-Ring Diradicals Involving Heavy Main-Group Elements

    Chemistry - A European Journal

    Volume 21, Issue 5, January 26, 2015, Pages: 2157–2164, Hiroshi Matsui, Kotaro Fukuda, Shota Takamuku, Prof. Dr. Akira Sekiguchi and Prof. Dr. Masayoshi Nakano

    Version of Record online : 26 NOV 2014, DOI: 10.1002/chem.201404592