【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】: