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Theoretical analysis of the conformational transformation mechanism of spiropyran:effects of charged
Besides the photochromism isomerization,the impact of the electrochemical conditions on the spiropyran/merocyanine(SP/MC......
<正> The Hammett correlation has been successfully applied to electrophilic additions of the olefins. However, the corre......
The linear relationship between the chemical shift of the resenant nucleus and the localvan der Waals steric energy calc......
The electronic structures and substituent effects in o-,m-,and p-iodoanisoles have been investigated by ultraviolet phot......
Substituent effect on the molecular stability,group interaction,detonation performance,and thermolys
Density functional theory (DFT) method has been employed to study the effect of nitroamino group as a substituent in cyc......
The reaction of ethyl α-bromocinnamates with tetrabutyl ammonium fluoride(TBAF) was influenced largely by the position ......
Structural properties of hydroxyl-substituted alkyl benzenesulfonates at the water/vapor and water/d
Molecular dynamics simulations have been performed to investigate the structural properties of hydroxyl-substituted alky......
n-Butyltriphenylphosphonium peroxodisulfate:A cheap and efficient reagent for the aromatization of H
Different 4-substituted 1,4-dihydropyridines have been oxidized to pyridine derivatives by n-butyltriphenyl phosphonium ......
Synthesis of α-fluoro-β-amino acids via the Reformatsky reaction of chiral N-tert-butylsulfinylimine
Treatment of chiral N-tert-butyl sulfinylimines with ethyl bromofluoroacetate in the presence of activated Zn dust in TH......
Design,synthesis and biological evaluation of 1,4-dihydrothieno[3′,2′:5,6]thiopyrano[4,3-c]pyrazole-
The estrogen receptor is a target for therapeutic agents for hormone replacement in menopausal women,osteoporosis, repro......
The self-assembly of 5-bromoisophthalic acid (H2BIPA) with Eu(NO3)3·6H2O under the hydrothermal conditions gave a 3D co......
Ionic liquids are possible alternative solvents for the separation of aromatic and aliphatic hydrocarbons by liquid-liqu......
Sulfonylurea herbicides have been applied worldwide in agriculture. Some sulfonylurea residues might exist in soil longe......
Three stable 4-substituted pyridine-based ruthenium(II)complexes[RuCl2(PPh3)L](L=4-R-2,6-bis (diethylaminomethylene)pyri......
Synthesis,Crystal Structure and Electrochemical Property of the Ferrocenyl Schiff-base (E)-N’(Ferroc
A novel Schiff-base compound based on ferrocene C18H17OFeN3 (1) has been synthesized and characterized by X-ray diffract......
Molecular crystals based on 9,10-distyrylanthracene derivatives with high solid state fluorescence e
Two 9,10-distyrylanthracene (DSA) derivatives CNDSA and t-BUDSA were designed and synthesized, and their photophysical p......
Synthesis and BK channel-opening activity of novel N-acylhydrazone derivatives from dehydroabietic a
A series of hydrazone and N-acylhydrazone derivatives of dehydroabietic acid were synthesized and evaluated for BK chann......
Istomin和Palm曾提出用模型ΔfH0(RX)=h[R]+h[X]+φ[R]φ[X](式中h[R]和h[X]分别为烷基R和取代基X对单取代烷烃生成焓ΔfH0(RX)的......
Mechanistic study of copper-catalyzed intramolecular ortho-C-H activation/carbon-nitrogen and carbon
Intramolecular ortho-C-H activation and C-N/C-O cyclizations of phenyl amidines and amides have recently been achieved u......
SYNTHESIS OF BIMODAL POLYETHYLENE WITH UNSYMMETRICAL α-DIIMINE NICKEL COMPLEXES: INFLUENCE OF LIGAND
A series of unsymmetrical α-diimine nickel complexes with various backbones and substituted aniline moieties were synth......
Synthesis of novel β-amino ketones containing a p-aminobenzoic acid moiety and evaluation of their a
The synthesis of two series of β-amino ketones containing a p-aminobenzoic acid moiety (TM-1 and TM-2) using a modified......
Electron density distributions of 2-aminoethanol (2AE) and 2-amino-1-propanol (2AP) are calculated in both the coordinat......
Facile synthesis of bromoallenes via N-bromosuccinimide/CH_3SCH_3 for the bromination of propargyl a
A novel and convenient way has been developed for the preparation of bromoallenes from propargyl alcohols by the reagent......
Extensive spectral tuning of the proton transfer emission from green to red via a rational derivatiz
A series of salicylideneaniline derivatives la-1f were synthesized under mild condition in high yields,and characterized......
New 9-(alkyl or aryl)acenaphtho[l,2-b]furan-8-(alky or aryl)amine compounds has herein been reported by one-pot reaction......
A systematic study was carried out to explore the electrochemical behavior of Ce in room temperature ionic liquid(CnmimB......
CH_2,NH,and O heteroatom substitution effects on the electronic,optical,and charge transport propert
A set of CH2-,NH-,and O-substituted 2,1,3-benzothiadiazole(BTD)-based derivatives have been investigated theoretically i......
Organoactinide complexes containing terminal metal-ligand multiple bonds have received widespread attention over the pas......
Recent progress in the research of radical anion ligands and their complexes with metals were summarized in this review.......
Nine phthalates were calculated at the B3LYP/6-311G** level using DFT method. The corresponding linear relationship equa......
A series of 2,6-disubstituted-4-morpholinothieno[3,2-d]pyrimidine derivatives were synthesized and their cytotoxic activ......
Stereoselective approach for preparation ofα-difluoromethylα-propargylamines has been developed.1,2-Addition of lithiu......
Influence of Molecular Structure on the Dimerization Reactivity of Germaaromatic Compounds: a Theore
Density functional theory (DFT) calculations, at the B3LYP/6-311G** level of theory, were performed to study the reactio......
Synthesis and biological evaluation of a series of novel salicylanilides as inhibitors of EGFR prote
The synthesis and biological evaluation of two series of salicylanilide derivatives on the EGFR and ErbB-2 tyrosine kina......
An efficient and eco-friendly protocol for the chemoselective N-benzyloxycarbonylation of amines was described.The react......
Thirteen novel phenyl substituted isoxazolecarboxamides were synthesized,and their structures were characterized by 1 H ......
The reactions of imidazolium-based ionic liquids having different substituent groups on the ring with hydrated electrons......
Discovery and application of 6π-azaelectrocyclization to natural product synthesis and synthetic bio
While elucidating the inhibitory mechanism of a hydrolytic enzyme by aldehyde-containing natural product,we discovered a......
In order to find novel antibacterial agents with superior antibacterial activity and overcoming multidrug resistance,a s......
2D-and 3D-QSBR Study on the Relationship between the Structure and Biodegradation Property of Sulfon
Using DFT method, 10 sulfonylurea herbicides were computed at the B3LYP/6-31G* level. Based on linear solvation energy t......
A series of l-oxacephem analogs were synthesized and their antibacterial properties against five strains of Gram-positiv......
In this study, a series of imidazolium salts with different N3-substituents(3-position: methyl, vinyl, ethyl, n-propyl, ......
A mild and efficient iridium-catalyzed ortho-C–H amidation with sulfonyl azides by weakly coordinating carboxylic acid ......
As the rate-determining step in native chemical ligation reactions, the thiol–thioester exchange step is important in d......
Two novel Ag coordination polymers based on tetrazole-yl acylamide,Ag(NTAA)(1,H-NTAA=N-(1H-tetrazol-5-yl)acetamide) and ......
An efficient and high-yielding synthesis of N~2-arylaminopyrimidine-5-carbonitrile derivatives starting from arylamines ......
Schiff base aluminum catalysts containing morpholinomethyl groups in the ring opening polymerization
A series of Schiff base aluminum(III) complexes bearing morpholinomethyl substituents were synthesized. Comprehensive in......
Twelve novel dithiocarbamates containing 1,2,3-trizaoles group were prepared via one step starting from organic halides,......
Enantioselective chlorination of β-keto esters and amides catalyzed by chiral copper(Ⅱ) complexes of
Enantioselective chlorination of b-keto esters and amides catalyzed by squaramide-linked bisoxazoline ligand–Cu(OAc)2co......
Polymers with complicated architectures constructed from the versatile, functional monomer 1-ethoxye
Because glycidyl(Gly) contains an epoxy and an active hydroxyl group, the Gly unit is difficult to introduce into certai......
