Diradicaloids

Diradicaloids

Wu, Jishan

Jenny Stanford Publishing

04/2022

622

Dura

Inglês

9789814968089

15 a 20 dias

1340

Descrição não disponível.
1. Excitation Energies and Optical Properties of Open-Shell Singlet Diradicaloids 2. Electronic Structure Characterization of Diradicaloids with Spin-Flip (SF) Methods 3. Spectroscopy of Open-Shell Singlet Ground-State Diradicaloids: A Computational Perspective 4. Vibrational Raman Spectroscopy of Diradicaloids: Revealing Their Physical Origin 5. Phenalenyl- and Anthene-Based Diradicaloids 6. Zethrenes and Related Molecules 7. Extended para-Quinodimethanes and Quinones 8. Fused Heteropolycyclic Compounds-Based Diradicaloids 9. Non-Benzenoid Polycyclic Hydrocarbon-Based Diradicaloids 10. Photo-Responsive Diradicaloids 11. Porphyrinoid-Based Diradicaloids 12. Heteroatom (N, P, B, S, etc.) Centered Monoradicals and Diradicals 13. Polyradicaloids and 2D/3D Global Aromaticity
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Diradical Character;Open Shell Singlet;Vibrational Raman Spectroscopy;CASSCF Calculation;Singlet Triplet Energy Gap;NMR Spectrum;TPA Cross-section;Kcal Mol;NMR Signal;Esr Spectrum;American Chemical Society;Esr Measurement;Oxidative Dehydrogenation;Closed Shell Ground State;Aromatic Sextet;Spin Density Distribution;X-ray Crystallographic Analysis;EPR Spectrum;EPR Signal;Powder EPR Spectrum;NMR Peak;Quinoidal Form;DFT Calculation;Raman Spectra;Transient Absorption Spectra