Diradicals (literature)
1, 2. Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals (Michael M. Haley et al., Nature Chemistry 2016, 8, 753–759).
3. Spin-flip time dependent density functional theory for singlet–triplet splittings in r,r-biradicals (Zilvinas Rinkevicius et al., Chemical Physics Letters 2010, 491, 132–135.
4. Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory (Sudip Chattopadhyay et al., J. Phys. Chem. A 2016, 120, 5897−5916).
5. Singlet−Triplet Gaps through Incremental Full Configuration Interaction (Paul M. Zimmerman, J. Phys. Chem. A 2017, 121, 4712−4720).
6. Density functional theory for open-shell singlet biradicals (Dieter Cremer et al., Chemical Physics Letters 1998, 288, 593–602).
7. Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems (Benoît Champagne et al., J. Phys. Chem. A 2017, 121, 861−873).
8. Direct Spectroscopic Observation of Closed-Shell Singlet, Open-Shell Singlet, and Triplet p‑Biphenylyloxenium Ion (David Lee Phillips et al., J. Am. Chem. Soc. 2014, 136, 12364−12370).
9. Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies (Anna I. Krylov et al., J. Chem. Phys. 2003, 118, 6874−6883).
10. Impact of Diradical/Ionic Character on Third-Order Nonlinear Optical Property in Asymmetric Phenalenyl Dimers (Masayoshi Nakano et al., ChemistrySelect 2017, 2, 2084–2087).
11. Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals? (Dieter Cremer et al., Int. J. Mol. Sci. 2002 , 3, 360–394).
12. Some random Book/Thesis Chapter.
13. Recent Progress in Quinoidal Singlet Biradical Molecules (Takashi Kubo, Chem. Lett. 2015, 44, 111–122).
14. Singlet open‑shell diradical nature and redox properties of conjugated carbonyls: a quantum chemical study (Fernando Ruipérez et al., Theor. Chem. Acc. 2017, 136:32, 1-15).
15. Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity (Benoıt Champagne et al., Phys. Chem. Chem. Phys., 2011, 13, 20575–20583).
16. Theoretical Design of Open-Shell Singlet Molecular Systems for Nonlinear Optics (Benoît Champagne et al., J. Phys. Chem. Lett. 2015, 6, 3236−3256).
17. Triplet fluoranthenes: Aromaticity versus unpaired electrons (Svetlana Marković et al., J Mol Model (2011) 17:805–810).