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Error analysis of free probability approximations to the density of states of disordered systems
Massachusetts Institute of Technology
2012/2/29
Theoretical studies of localization, anomalous diffusion and ergodicity breaking require solving the electronic structure of disordered systems. We use free probability to approximate the ensemble- av...
Multiscale QM/MM Molecular Dynamics Study on the First Steps of Guanine-Damage by Free Hydroxyl Radicals in Solution
Multiscale QM/MM Molecular Dynamics Study First Steps Guanine-Damage Free Hydroxyl Radicals Solution
2012/2/29
Understanding the damage of DNA bases from hydrogen abstraction by free OH radicals is of particular importance to reveal the effect of hydroxyl radicals produced by the secondary effect of radiation....
Free Energy and Internal Combustion Engine Cycles
Free Energy Internal Combustion Engine Cycles Chemical Physics
2012/5/17
The performance of one type (Carnot) of Internal Combustion Engine (ICE) cycle is analyzed within the framework of thermodynamic free energies. ICE performance is different from that of an External Co...
Constraining density functional approximations to yield self-interaction free potentials
Constraining density functional approximations self-interaction free potentials
2011/8/18
Abstract: Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to constrain the effective l...
An efficient one-pot synthesis of dihydropyrimidinones catalyzed by zirconium hydrogen phosphate under solvent-free conditions
Biginelli reaction solvent-free zirconium hydrogen phosphate
2010/10/18
A simple, efficient, and practical procedure for the Biginelli reaction using zirconium hydrogen phosphate [Zr(H2PO4)2] as a novel solid acid catalyst is described under solvent-free conditions in hig...
Chelating agent free solid phase extraction (CAF-SPE) method for separation and/or preconcentration of iron(III) ions
Iron determination solid phase extraction preconcentration
2010/10/15
This paper presents a chelating agent free solid phase extraction (CAF-SPE) method for the separation and/or preconcentration of trace iron(III) ions. This method is based on the sorption of Fe(III) i...
The reaction of free chlorine with tertiary ammonium or amine compounds in aqueous solution was studied by the amperometry at a rotating Pt-disk electrode. The amperometric method can be applied to fo...
H2{SO}4-silica as an efficient and chemoselective catalyst for the synthesis of acylal from aldehydes under solvent-free conditions
Acylals aldehydes catalysis solvent-free reactions
2010/4/9
A variety of aldehydes react with acetic anhydride in the presence of a catalytic amount of H2SO4-silica to afford the corresponding 1,1-diacetates (acylals) in excellent yields. Ketones are not affec...
Microwave-Assisted Synthesis of Some Metal-Free Phthalocyanine Derivatives and a Comparison with Conventional Methods of their Synthesis
Synthesis metal-free phthalocyanines microwave irradiation conventional heating lithium pentanol
2010/4/9
Synthesis of metal-free 2,9(10),16(17),23(24)-tetra(3,5- dimethylphenoxy) phthalocyanine, 2,9(10),16(17), 23(24)-tetra(4- tert-butylphenoxy) phthalocyanine, and 2,9(10),16(17),23(24)-tetra(3,5- di-ter...
High Yielding Oxidative Deprotection of Silyl and Pyranyl Ethers to Their Corresponding Carbonyl Compounds with Strontium Manganate in the Presence of Aluminium Chloride in Solution and Under Solvent-Free Conditions
Strontium manganate aluminium chloride solvent-free conditions oxidative deprotection tetrahydropyranyl ethers
2010/4/13
Strontium manganate (SrMnO4) in the presence of aluminium chloride (AlCl3) is an efficient reagent for the high yielding oxidative deprotection of aromatic and aliphatic silyl and pyranyl ethers into ...
Preparation of 1,5-Diketones by Addition of Cyclohexanone to Chalcones under Solvent-free Phase Transfer Catalyst Condition
Chalcones 1,5-Diketones Solvent-free Phase Transfer Catalyst Michael Addition
2010/4/16
Eight different chalcone-1,5-diketone derivatives (5a-h) were prepared by the reaction of chalcone derivatives (3a-h) with cyclohexanone under the solvent-free phase transfer catalyst condition with m...
The Chlorine Free Products Association (CFPA) is a not-for-profit State of Illinois corporation. The primary purpose of the association is to promote Total Chlorine Free policies, programs, and techno...
A Convenient and Efficient Synthesis of N-Acylsulfonamides in the Presence of Silica Phosphoric Acid under Heterogeneous and Solvent-Free Conditions
N-acylsulfonamide solvent-free silica phosphoric acid heterogeneous condition N-acylation
2010/4/8
Reaction of sulfonamides with carboxylic acid anhydrides and chlorides in the presence of silica phosphoric acid provided N-acyl sulfonamides in good to high yields. All reactions were performed under...
期刊信息
篇名
Antioxidant Effects of Green Tea Polyphenols on Free Radical Initiated Peroxidation of Rat Liver Microsomes
语种
英文
撰写或编译
作者
Y. J. Cai,L. P. Ma,L. F. Hou,B. Zhou,L. Yang and Z. L. Liu
第一作者单位
刊物名...
期刊信息
篇名
.Block-copolymer-free strategy for preparing micelles and hollow spheres: Self-assembly of poly(4-vinylpyridine) and modified polystyrene
语种
英文
撰写或编译
作者
Wang M,Jiang M,Ning FL,et al
第一作者单位
刊物名...