搜索结果: 1-6 共查到“化学物理学 electron”相关记录6条 . 查询时间(0.125 秒)
Structure-Based Analysis of the Initial Electron Transfer Step in Bacterial Photosynthesis: Electric Field Induced Fluorescence Anisotropy
Fluorescence Electric fields Electron transfer Transfer reactions Anisotropy
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2016/5/20
The fluorescence intensity from randomly oriented, immobilized Rb. sphaeroides reaction centers at 77 K increases in the presence of an externally applied electric field. We have proposed that this in...
Bayesian approach to electron correlation in density functional theory
Bayesian electron correlation density functional theory Chemical Physics
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2012/5/17
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT...
Electron Affinities of the Early Lanthanide Monoxide Molecules
LaO CeO PrO NdO Electron affinity Photoelectron imaging Density func-tional calculation Ligand field theory
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2012/4/5
The photoelectron imagings of LaO-, CeO-, PrO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron a±nities to be determined as 0.99(1) eV for LaO, 1.00(1) eV...
Photochemical Hydrogen Abstraction and Electron Transfer Reactions of Tetrachlorobenzoquinone with Pyrimidine
Tetrachlorobenzoquinone Thymine Uracil Triplet state Hydrogen abstrac-tion Electron transfer Laser flash photolysis
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2012/4/5
Pentachlorophenol, a widespread environmental pollutant that is possibly carcinogenic to humans, is metabolically oxidized to tetrachloroquinone (TCBQ) which can result in DNA damage. We have investig...
CO2 dissociation activated through electron attachment on reduced rutile TiO2(110)-1x1 surface
CO2 dissociation activated TiO2(110)-1x1 surface
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2011/9/1
Converting CO2 to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant photocatalytic substrat...
The Effect of Peripheral Circuits on the Total p-Electron Energies of Cyclacenes
Peripheral Circuits the Total p-Electron Energies Cyclacenes
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2010/6/27
Within the framework of the Hückel molecular orbital theory, certain linear models are developed to express the contribution of peripheral circuits of cyclacenes into their total p-electron energies, ...