Keywords: اثر آنومتری; Methylbenzenesulfonate; Electron diffraction; Conformers; NBO-analysis; Anomeric effect; Gas-phase and crystal structures
مقالات ISI اثر آنومتری (ترجمه نشده)
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Keywords: اثر آنومتری; Halogen bonding; Anomeric effect; Interhalogen compounds; Post-Hartee-Fock ab initio methods; Energy decomposition analysis;
Keywords: اثر آنومتری; Conformational analysis; Theoretical calculations; Anomeric effect; Halogenated methanols;
Keywords: اثر آنومتری; Skraup-Doebner-Miller; Quinoline; Hydroxyquinoline; Halogen; Carboxylic acid; Anomeric effect;
Fluorination effect on conformational preferences of trifluorothioanisole
Keywords: اثر آنومتری; Fluorination; Anomeric effect; Trifluorothioanisole; Microwave spectroscopy; Supersonic expansion;
Theoretical study on the anomeric effect in α-substituted tetrahydropyrans and piperidines
Keywords: اثر آنومتری; Anomeric effect; Hyperconjugation; Steric effect; Coupling constant; Heterocycles;
DFT and TD-DFT study of isomeric 5-(pyridyl)-1,3,4-oxadiazol-2-thiones and 2-methylthio-5-(pyridyl)-1,3,4-oxadiazoles
Keywords: اثر آنومتری; 5-(Pyridyl)-1,3,4-oxadiazol-2-thiones; 2-Methylthio-5-(pyridyl)-1,3,4-oxadiazoles; DFT; TD-DFT; Anomeric effect; UV spectra;
Conformational studies of N-(α-d-glucofuranurono-6,3-lactone)- and N-(methyl β-d-glucopyranuronate)-p-nitroanilines
Keywords: اثر آنومتری; N-Furanoside; N-Glucuronide; Ring conformation; Rotamer; Delocalization; Anomeric effect;
The effect of fullerene and some electron donating/withdrawing substituents on the molecular orbitals, strength and the nature of CN bond in a number of RCHNRâ² imines: A theoretical study
Keywords: اثر آنومتری; Theoretical study; Imine; Fullerene; Electron donating/withdrawing; Anomeric effect;
Correlations between hardness, electronegativity, anomeric effect associated with electron delocalizations and electrostatic interactions in 1,4,5,8-tetraoxadecalin and its analogs containing S and Se atoms
Keywords: اثر آنومتری; Hardness; Electronegativity; Anomeric effect; 1,4,5,8-Tetraoxadecalin;
Generalized anomeric effect of α-chloro-O-oxime ethers; influence of various substitutions by DFT, NBO and AIM studies
Keywords: اثر آنومتری; Anomeric effect; α-Halo-O-oxime ethers; Conformation analysis; Hyperconjugation; Substitution effect; Charge transfer;
A strategy toward the synthesis of C13-oxidized cembrenolides
Keywords: اثر آنومتری; Cembrane; Macrocyclization; Furan oxidation; Anomeric effect; Hemiketal;
Ab initio molecular orbitals studies and NBO analysis of conformational preference in 2-hydroxypiperidine
Keywords: اثر آنومتری; 2-Hydroxypiperidine; MP2; NBO analysis; Conformational preference; Hyperconjugation; Anomeric effect;
Conformational and configurational study of 2-phenyl-4-aryl-1,3,2-dioxaphosphonates derived from xylofuranose derivatives. The anomeric effect in the spontaneous isomerization of cyclic phosphonates
Keywords: اثر آنومتری; Conformation; Configuration; Anomeric effect; Prodrugs; Phosphonates;
Influence of protecting groups on the anomeric equilibrium; case of the 4,6-O-benzylidene acetal in the mannopyranose series
Keywords: اثر آنومتری; Mannopyranosides; 4,6-O-Benzylidene acetal; Anomeric equilibrium; Anomeric effect; Conformational analysis
Electronic effect on the rotational barriers of PN bond in aminophosphanes. A theoretical approach
Keywords: اثر آنومتری; Aminophosphanes; Rotational barriers of PN bond; DFT calculations; B3LYP functional; Anomeric effect;
Dimethylsilanediol: Structure and vibrational spectra by IR and Raman spectroscopies and quantum chemical calculations
Keywords: اثر آنومتری; Dimethylsilanediol; IR; Raman; Synthesis; Molecular structure; Anomeric effect
Conformations of 1,1-diethoxyethane: A matrix isolation infrared and ab initio study
Keywords: اثر آنومتری; 1,1-Diethoxyethane; Matrix isolation; Infrared spectroscopy; Conformations; Anomeric effect; Ab initio computation;
Linear free energy relationship for the anomeric effect: MP2, DFT and ab initio study of 2-substituted-1,4-dioxanes
Keywords: اثر آنومتری; Anomeric effect; Hyperconjugation; 1,4-Dioxanes; LFER; MP2; DFT
Molecular structure and conformational preferences of methylthiodichlorophosphite, Cl2PSCH3, as studied by gas electron diffraction and quantum-chemical calculations
Keywords: اثر آنومتری; Phosphites; Molecular structure; Gas electron diffraction; Anomeric effect; NBO analysis;
Theoretical study on the anomeric effect in carbene compound XC:CH2F (XÂ =Â CH3, NH2, OH)
Keywords: اثر آنومتری; Anomeric effect; XC:CH2F; XOCH2F; MP2; NBO;
Analysis of anomeric effects in some oxa diaza spiro decan derivatives by DFT molecular orbital calculations
Keywords: اثر آنومتری; DFT calculations; NBO analysis; Anomeric effect; Steric and orbital interactions effects;
Esters of 2,5-multisubstituted-1,3-dioxane-2-carboxylic acid: their conformational analysis and selective hydrolysis
Keywords: اثر آنومتری; 1,3-Dioxane-2-carboxylic acid esters; Conformational analysis; Selective hydrolysis; Anomeric effect; Homoanomeric effect;
Theoretical study of solvent effects on the conformational preference in CH2FWH (W=O, S) using PCM and IPCM methods
Keywords: اثر آنومتری; Anomeric effect; Solvent effect; PCM; IPCM;
Synthesis and geometry of methyl (methyl 4-O-acetyl-3-azido-2,3-dideoxy-α/β-d-arabino- and -α/β-d-ribo-hexopyranosid)uronates
Keywords: اثر آنومتری; Sugar amino acid; X-ray diffraction; Anomeric effect; Mesomeric effect; Hybridization; Conformational equilibrium
DFT calculations of the anomeric and exo-anomeric effect of the hydroperoxy and peroxy groups
Keywords: اثر آنومتری; Glycosyl hydroperoxides; Anomeric effect; Exo-anomeric effect; DFT calculations; Gibbs free energy; Hydrogen bonds
Furanyl spiroketals as stereochemical relays in the synthesis of 1,9-anti diols: synthesis of insect pheromones
Keywords: اثر آنومتری; Spiroketals; Remote asymmetry; Anomeric effect; Furanyl ethers; Insect pheromones;
Conformational preferences of mono-substituted cyclohydronitrogens: A theoretical study
Keywords: اثر آنومتری; Conformational stability; Anomeric effect; Natural bond orbital analysis;
Synthesis and thermal stability of hybrid fluorosilicone polymers
Keywords: اثر آنومتری; Fluorosilicone; Anomeric effect; Thermal stability;
The generalized anomeric effect in the 1,3-thiazolidines: Evidence for both sulphur and nitrogen as electron donors. Crystal structures of various N-acylthiazolidines including mercury(II) complexes. Possible relevance to penicillin action
Keywords: اثر آنومتری; Amide resonance; Anomeric effect; Baldwin’s rules; Crystal structure; β-Lactam; Mercury(II); Penicillin; Stereoelectronic; Thiazolidine; X-ray diffraction
Furanyl spiroketals: thermodynamic control of remote asymmetry
Keywords: اثر آنومتری; Spiroketals; Remote asymmetry; Anomeric effect; Furanyl ethers;
NBO and AIM analyses of the anomeric effect in fluoromethanthiol
Keywords: اثر آنومتری; Fluoromethanthiol; Anomeric effect; NBO and AIM analyses;
Structural characteristics of 2-halo-1,3,2-dithiarsenic compounds and tris-(pentafluorophenylthio)-arsen
Keywords: اثر آنومتری; Arsenic dithiolates; Bent’s rule; Anomeric effect; Single crystal X-ray structure
Conformations of methyl 2,5-di-O-acetyl-β-d-glucofuranosidurono-6,3-lactone and 1,2,5-tri-O-acetyl-β-d-glucofuranurono-6,3-lactone in the crystal structure and in solution
Keywords: اثر آنومتری; β-d-Glucofuranurono-6,3-lactone; X-ray diffraction; Single-crystal; Coupling constant; Torsion angle; 1T2 Conformation; Anomeric effect;
The evidence for an anomeric effect of the proton
Keywords: اثر آنومتری; Anomeric effect; Deuterium quadrupole resonance
13C Solid-state NMR chemical shift anisotropy analysis of the anomeric carbon in carbohydrates
Keywords: اثر آنومتری; Anomeric effect; Solid-state NMR; Asymmetry in the electron cloud distribution; Chemical shift anisotropy;
Anomeric effect and rotational barrier in fluoromethanol: A theoretical study
Keywords: اثر آنومتری; Anomeric effect; Rotational barrier; Fluoromethanol; NBO; AIM;
Synthesis and conformational studies on methyl 4-O-acetyl-3-azido-2,3,6-trideoxy-hex-5-enopyranosides of the l series
Keywords: اثر آنومتری; Tosylation; Iodination; Hex-5-enopyranosides; Enantiomers; Anomeric effect; Equatorial or axial orientation
Conformational studies of N-carbomethoxy-2-alkoxyindolenines by dynamic NMR, crystallography, and molecular mechanics
Keywords: اثر آنومتری; Dynamic NMR; X-ray analysis; Alkoxyindolenines; Anomeric effect;
On the generalized valence bond description of the anomeric and exo-anomeric effects: an ab initio conformational study of 2-methoxytetrahydropyran
Keywords: اثر آنومتری; Ab initio; Localized wave function; 2-Methoxytetrahydropyran; Glycosidic bond; Anomeric effect