4氢-吡喃-4-硫酮1(n-π*),1Ag-(π→π*)和1Bu+(π→π*)等的激发态特征
孙东杰, 李源作, 李永庆, 马凤才. 4氢-吡喃-4-硫酮1(n-π*),1Ag-(π→π*)和1Bu+(π→π*)等的激发态特征[J]. 原子与分子物理学报, 2008, 25(2): 433.
孙东杰, 李源作, 李永庆, 马凤才. 1(n→π*), 1Ag-(π→π*) and 1Bu+(π→π*) excited state properties of 4H-pyran-4-thione[J]. Journal of Atomic and Molecular Physics, 2008, 25(2): 433.
[1] Jacquemin D,Wathelet V,Perpete E A.Ab initio investigation of the n→* transitions in thiocarbonyl dyes[J].J.Phys.Chem.A,2006,110:9145
[2] Sun M T,Pullerits T,Kjellberg P,et al.Control of emission by intermolecular fluorescence resonance energy transfer and intermolecular charge transfer[J].J.Phys.Chem.A,2006,110:6324
[3] Lee C,Yang W,Parr R G.Development of the colle-sallvetti correlation-energy formula into a functional of the electron density[J].Phys.Rev.B,1988,37:785
[4] Frisch M J,Trucks G W,Schlegel H B,et al.Gaussian 03,Revision B.05,Pittsburgh PA:Gaussian,Inc.,2003.
[5] O'Boyle N M,Vos J G.Elucidating excited state electronic structure and intercomponent interactions in multicomponent and supramolecular systems[J/OL].GaussSum 1.0,Dublin City University,2005.Available at http://gaussum.sourceforge.net
孙东杰, 李源作, 李永庆, 马凤才. 4氢-吡喃-4-硫酮1(n-π*),1Ag-(π→π*)和1Bu+(π→π*)等的激发态特征[J]. 原子与分子物理学报, 2008, 25(2): 433. 孙东杰, 李源作, 李永庆, 马凤才. 1(n→π*), 1Ag-(π→π*) and 1Bu+(π→π*) excited state properties of 4H-pyran-4-thione[J]. Journal of Atomic and Molecular Physics, 2008, 25(2): 433.
PDF全文
