搜索结果: 1-15 共查到“理学 Solvent”相关记录36条 . 查询时间(0.156 秒)
Solvent-Induced Infrared Frequency Shifts in Aromatic Nitriles are Quantitatively Described by the Vibrational Stark Effect
Nitriles Spectroscopy,Fourier Transform Infrared Vibration Static Electricity Solvents
2016/5/25
The physical properties of solvents strongly affect the spectra of dissolved solutes, and this phenomenon can be exploited to gain insight into the solvent-solute interaction. The large solvatochromic...
Do Ligand Binding and Solvent Exclusion Alter the Electrostatic Character within the Oxyanion Hole of an Enzymatic Active Site
Pseudomonas putida Thiocyanates Anions Oxygen Steroid Isomerases Ligands Spectroscopy, Fourier Transform Infrared Kinetics Binding Sites Static Electricity
2016/5/24
The thousands of enzyme structures solved to date have consistently revealed that biological catalysis occurs within sequestered pockets containing complex interdigitations of polar and hydrophobic gr...
Effective Polarity of Frozen Solvent Glasses in the Vicinity of Dipolar Solutes
gene therapy plasmid DNA galactosylated poly(L-lysine) pharmacokinetics hepatic uptake
2016/5/23
The polarity of frozen organic solvent glasses is found to be substantially larger than that of liquid solvents at room temperature. The extent of this increase depends on the dipolar character of bot...
Photoisomerisation of trans-stilbene in solution may be directly assisted by solvent collisions
Photoisomerisation of trans-stilbene solution assisted solvent collisions Chemical Physics
2012/4/20
Gas phase thermal isomerization rates of trans-stilbene obey the Arrhenius law at T~300 K, indicating that intramolecular vibrational redistribution (IVR) is complete or not restrictive for the reacti...
Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models
Atomistic simulations electrolyte solutions hydrogels explicit solvent models
2011/8/11
Abstract: Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as systems containi...
A continuum solvent model: the DISOLV program - algorithms, implementation, and validation
polarized continuum model conductor-like screening model solvent accessible surface triangulation non-polar interactions polar interactions
2011/8/2
Abstract: Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening model (COSMO) as w...
A pH-, salt- and solvent-responsive carboxymethylcellulose-g-poly(sodium acrylate)/medical stone superabsorbent composite with enhanced swelling and responsive properties
polymer composites carboxymethylcellulose medical stone superabsorbent smart-responsive swelling
2011/12/13
Free-radical graft copolymerization among sodium carboxymethylcellulose (CMC), partially neutralized acrylic acid (NaA), medical stone (MS) and crosslinker N,N!-methylene-bis-acrylamide (MBA) was perf...
A pH-, salt- and solvent-responsive carboxymethylcellulose-g-poly(sodium acrylate)/medical stone superabsorbent composite with enhanced swelling and responsive properties
polymer composites carboxymethylcellulose medical stone superabsorbent smart-responsive swelling
2011/12/14
Free-radical graft copolymerization among sodium carboxymethylcellulose (CMC), partially neutralized acrylic acid (NaA), medical stone (MS) and crosslinker N,N!-methylene-bis-acrylamide (MBA) was perf...
Microphase separation in linear multiblock copolymers under poor solvent conditions
WMicrophase separation linear multiblock copolymers poor solvent conditions
2010/11/25
Molecular dynamics simulations are used to study the phase behavior of linear multiblock copolymers with two types of monomers, A and B, where the length of the polymer blocks NA and NB (NA = NB = N),...
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...
Ionic liquids as solvent for efficient esterification of carboxylic acids with alkyl halides
Ionic liquids green solvent esterification
2010/10/15
The selective esterification of carboxylic acid derivatives with a variety of alkyl halides was carried out using ionic liquid as solvent in the presence of triethylamine. The reaction was found to pr...
A highly soluble asymmetric perylene-bis (dicarboximide)-acceptor system incorporating a methylene bridged methoxybenzene-donor: solvent dependence of charge transfer interactions
Perylene dyes photoconductivity solar cells LED 3 4 9 10-perylenetetracarboxylic diimide excited state properties photoinduced electron transfer transient absorption time resolved emission
2010/4/8
The synthesis and photophysical properties of an asymmetrically substituted perylene-bis(dicarboximide), (PDI), system (1) containing a methylene bridged 4-methoxy-benzene donor and a solubilizing bra...
Reactions of the solvent-stabilized compound [MoOCl2(THF)2] with aromatic nitrogen donor ligands: spectroscopic characterization and semiempirical AM1* calculations
Mo(VI) complexes oxo-imido complexes oxomolybdenum complexes oxygen atom
2010/4/8
Reaction of the solvent-stabilized dioxo-molybdenum(VI) compound [MoO2Cl2(THF)2] with PPh3 yielded the oxomolybdenum(IV) species [MoOCl2(THF)2] (1) by the removal of one oxygen atom as PPh3O. The comp...
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...
Silver Ion-Assisted Ring Expansions in Different Solvent Systems
Carbene bicyclic compound ring opening ring expansion vinylic halide
2010/4/9
Several ring expansion products carrying vinylic bromo functionality were synthesized by opening of the geminal dibromobicyclo[n.1.0]alkanes ring. Dibromocarbene was formed from bromoform and potassiu...