Second hyperpolarizabilities of polycyclic diphenalenyl radicals: Effects of para/ortho-quinoid structures and central ring modification

[1]  M. Nakano,et al.  Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge , 2006 .

[2]  S. Yamada,et al.  Second hyperpolarizabilities (gamma) of bisimidazole and bistriazole benzenes: diradical character, charged state, and spin state dependences. , 2006, The journal of physical chemistry. A.

[3]  M. Nakano,et al.  Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units , 2006 .

[4]  T. Kubo,et al.  Biradicaloid character of phenalenyl-based aromatic compounds with a small HOMO-LUMO gap , 2005 .

[5]  Edith Botek,et al.  Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems. , 2005, The Journal of chemical physics.

[6]  Benoît Champagne,et al.  Second Hyperpolarizability (γ) of Singlet Diradical System: Dependence of γ on the Diradical Character , 2005 .

[7]  T. Kubo,et al.  Multi-stage amphoteric redox hydrocarbons based on a phenalenyl radical , 2004 .

[8]  T. Takui,et al.  Tetra-tert-butyl-as-indaceno[1,2,3-cd:6,7,8-c′d′]diphenalene: a four-stage amphoteric redox system ☆ , 2001 .

[9]  B. A. Hess,et al.  λ4σ2-Sulfur Heterocycles. An ab Initio and Density Functional Study , 1997 .

[10]  M. Nakano,et al.  MANY-ELECTRON HYPERPOLARIZABILITY DENSITY ANALYSIS : APPLICATION TO THE DISSOCIATION PROCESS OF ONE-DIMENSIONAL H2 , 1997 .

[11]  S. Yamada,et al.  Size‐consistent approach and density analysis of hyperpolarizability: Second hyperpolarizabilities of polymeric systems with and without defects , 1995 .

[12]  M. Klobukowski,et al.  Self-consistent field : theory and applications , 1990 .

[13]  K. Nakasuji,et al.  SYNTHESIS AND ELECTROCHEMICAL CHARACTERISTIC OF 1,2-BIS(PHENALEN-1-YLIDENE)ETHENE. AN AMPHOTERIC FOUR-STAGE REDOX HYDROCARBON , 1982 .

[14]  Lionel Salem,et al.  The Electronic Properties of Diradicals , 1972 .

[15]  C. Roothaan,et al.  Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed‐Shell Systems , 1965 .