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New Paper Published in Nature Communications titled, “Exact exchange-correlation potentials from ground-state electron densities”
Published titled Exact potentials electron densities
2019/10/10
The quest for accurate exchange-correlation functionals has long remained a grand challenge in density functional theory (DFT), as it describes the many-electron quantum mechanical behavior through a ...
Trapping the P+BL- Initial Intermediate State of Charge Separation in Photosynthetic Reaction Centers from Rhodobacter capsulatus
Humans Adult Physical Education and Training Physical Fitness Sports Male
2016/5/25
The short-lived (<1 ps) initial intermediate state P(+)B(L)(-) in the photoinduced charge separation process of the bacterial photosynthetic reaction center has been trapped in two D(LL)-based Rhodoba...
Excited State Energy Transfer Pathways in Photosynthetic Reaction Centers.3.Ultrafast Emission from the Monomeric Bacteriochlorophylls
phase-transfer catalysis synthesis porphyrins metalloporphyrins aromatic aldehydes photocatalytic oxidation dynamics
2016/5/23
Ultrafast singlet excited state energy transfer occurs from the monomeric bacteriopheophytin (H) and bacteriochlorophyll (B) chromophores to the primary electron donor or special pair (P) in bacterial...
The Role of the Distal and Proximal Protein Environments in Controlling the Ferric Spin State and in Stabilizing Thiolate Ligation in Heme Systems:Thiolate Adducts of the Myoglobin H93G Cavity Mutant
salicylic alcohols hydrogen bonds quantum chemistry
2016/5/23
Recently, heme protein cavity mutants have been engineered in which the proximal coordinating amino acid has been replaced by a smaller, noncoordinating residue leaving a cavity that can be filled by ...
Probing Excited State Electron Transfer by Resonance Stark Spectroscopy.II.Theory and Application
Excited State Electron Resonance Stark Spectroscopy Theory Application
2016/5/23
A theory of the resonance Stark effect data reported in part 1 (preceding paper in this issue) is developed. The model used involves a weak charge resonance interaction between the excited state of an...
Probing Excited State Electron Transfer by Resonance Stark Spectroscopy.I.Experimental Results for Photosynthetic Reaction Centers
adatoms bismuth photoelectron diffraction silicon
2016/5/23
Higher order Stark spectroscopy has recently been introduced and applied to characterize the electrooptic properties of chromophores in bacterial photosynthetic reaction centers.1 In the course of the...
Excited State Energy Transfer Pathways in Photosynthetic Reaction Centers.2.Heterodimer Special Pair
Excited State Energy Photosynthetic Reaction Centers Heterodimer Special Pair
2016/5/23
Ultrafast singlet excited state energy transfer occurs from the monomeric chromophores to the primary electron donor or special pair in photosynthetic reaction centers. The mechanism of this process h...
Magnetic Field Effects on Reaction Yields in the Solid-State:An Example from Photosynthetic Reaction Centers
Magnetic Field Reaction Yields in the Solid-State Photosynthetic Reaction Centers
2016/5/20
Prior to 1970there were several reports of the effects of magneticfields on chemical reactions, though there was muchrebuttal and retraction in this early literature (1-3). Since 1970, the number of r...
Investigation of the Lowest Triplet State of the Pyrochlorophyllide a-Apomyoglobin Complex by Zero-field Optically Detected Magnetic Resonance
Lowest Triplet State Pyrochlorophyllide a-Apomyoglobin Complex Zero-field Optically Detected Magnetic Resonance
2016/5/20
Investigation of the Lowest Triplet State of the Pyrochlorophyllide a-Apomyoglobin Complex by Zero-field Optically Detected Magnetic Resonance.
Dependence of the Yield of a Radical-Pair Reaction in the Solid State on Orientation in a Magnetic Field
Radical-Pair Reaction Solid State on Orientation Magnetic Field
2016/5/20
We report the observation that the yield of a radical-pair reaction in the solid state can depend strongly on the orientation of the reactants in a magnetic field. This phenomenon is expected to be qu...
State-of-the-art ion cyclotron resonance magnet system offers researchers significantly more power and accuracy than ever before
State-of-the-art ion cyclotron resonance magnet system power accuracy
2015/10/13
A new world record magnet used to perform complex chemical analysis is now available for users at the National High Magnetic Field Laboratory (National MagLab). The 21 tesla (T) ion cyclotron resonanc...
Buckled nano rod - a two state system: quantum effects on its dynamics
Buckled nano rod quantum effects its dynamics Chemical Physics
2011/10/8
Abstract: We consider a suspended elastic rod under longitudinal compression. The compression can be used to adjust potential energy for transverse displacements from harmonic to double well regime. T...
Advanced quasi-steady state approximation for chemical kinetics
quasi-steady state approximation chemical kinetics
2011/8/3
Abstract: Computational feasibility of turbulent reacting flows hinges on the reduction of large chemical kinetics systems to smaller more manageable reaction sets. Recently, several sophisticated red...
期刊信息
篇名
Temperature effect on fluorescence lifetime of the 4F3/2 state of Nd:YVO4
语种
英文
撰写或编译
撰写
作者
Yanli Mao,Mingju Huang,Changshun Wang
第一作者单位
河南大学
刊物名称
Chinese Optics Letters
页面
2(2), 102-105
出版日期
...
Effect of cooling rate on the electrochemical properties of solid-state synthesized spinel LiMn2O
2007/7/28
期刊信息
篇名
Effect of cooling rate on the electrochemical properties of solid-state synthesized spinel LiMn2O
语种
英文
撰写或编译
撰写
作者
Tao Li,Weihua Qiu,Hailei Zhao,Jingjing Liu.
第一作者单位
北京科技大学
刊物名称
Materials Let...