【序号】:1
【作者】:Paul Winget and Jean-Luc Brédas
【题名】:Ground-State Electronic Structure in Charge-Transfer Complexes Based on Carbazole and Diarylamine Donors
【期刊】:
J. Phys. Chem. C【年、卷、期、起止页码】:
2011, 115 (21), pp 10823–10835【全文链接】:
http://pubs.acs.org/doi/abs/10.1021/jp200666p【序号】:2
【作者】:Singh, Raman K.; Mishra, Manoj K.
【题名】: Investigation of Ethynylfurans Using the Electron Propagator Theory
【期刊】:JOURNAL OF PHYSICAL CHEMISTRY A
【年、卷、期、起止页码】:卷: 113 期: 51 页: 14150-14155
【全文链接】:
【序号】:3
【作者】:
Khaliullin, Rustam Z.; Bell, Alexis T.; Head-Gordon, Martin【题名】: Electron Donation in the Water-Water Hydrogen Bond
【期刊】:
CHEMISTRY-A EUROPEAN JOURNAL 【年、卷、期、起止页码】:
卷: 15 期: 4 页: 851-855 【全文链接】:
【序号】:4【作者】:
Teale, Andrew M.; De Proft, Frank; Tozer, David J.【题名】: Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity【期刊】:
JOURNAL OF CHEMICAL PHYSICS 【年、卷、期、起止页码】:
卷: 129 期: 4 【全文链接】:
【序号】:5【作者】:
Cozzolino, Anthony F.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; 等.【题名】: Valence electronic structure of benzo-2,1,3-chalcogenadiazoles studied by photoelectron spectroscopy and density functional theory【期刊】:
INORGANIC CHEMISTRY 【年、卷、期、起止页码】:
卷: 47 期: 14 页: 6220-6226 【全文链接】: