Chemical shift anisotropy selective inversion
Keywords: Anisotropy شبیه سازی شیمیایی; Solid-state NMR; Magic angle spinning; Chemical shift anisotropy; Selective inversion;
مقالات ISI Anisotropy شبیه سازی شیمیایی (ترجمه نشده)
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Revisiting HgCl2: A solution- and solid-state 199Hg NMR and ZORA–DFT computational study
Keywords: Anisotropy شبیه سازی شیمیایی; Chemical shielding; 199Hg NMR; Mercuric chloride; Chemical shift anisotropy; Spin–lattice relaxation; ZORA-DFT
Solid-state NMR of quadrupolar halogen nuclei
Keywords: Anisotropy شبیه سازی شیمیایی; Cp; cyclopentadienyl; Cpâ; pentamethylcyclopentadienyl; CP/MAS; cross-polarization magic-angle spinning; CQ; quadrupolar coupling constant; CS; chemical shift; CSA; chemical shift anisotropy; CT; central transition; δ11, δ22, δ33; principal component
13C CPMAS NMR and DFT calculations of anthocyanidins
Keywords: Anisotropy شبیه سازی شیمیایی; Anthocyanidins; 13C CPMAS NMR; Solid-state NMR; GIAO-DFT calculations; Chemical shift anisotropy; Shielding constants;
Chemical shift anisotropy edited complete unraveling of overlapped 1H NMR spectra of enantiomers: Application to small chiral molecules
Keywords: Anisotropy شبیه سازی شیمیایی; Multiple quantum; Chemical shift anisotropy; Chiral discrimination;
Interactions of the C-terminus of lung surfactant protein B with lipid bilayers are modulated by acyl chain saturation
Keywords: Anisotropy شبیه سازی شیمیایی; SP-B; surfactant protein B; NMR; nuclear magnetic resonance; CSA; chemical shift anisotropy; CD; circular dichroism; DSC; differential scanning calorimetry; MLV; multilamellar vesicle; LUV; large unilamellar vesicle; Lα; fluid lamellar phase; Lβ; gel la
A structure refinement strategy for NMR crystallography: An improved crystal structure of silica-ZSM-12 zeolite from 29Si chemical shift tensors
Keywords: Anisotropy شبیه سازی شیمیایی; Zeolites; NMR crystallography; Chemical shift anisotropy; Crystal structure; Ab initio calculations;
Structure elucidation of cyameluric acid by combining solid-state NMR spectroscopy, molecular modeling and direct-space methods
Keywords: Anisotropy شبیه سازی شیمیایی; s-Heptazine derivatives; Molecular modeling; Chemical shift anisotropy; X-ray powder diffraction; Hydrogen bonding
Further conventions for NMR shielding and chemical shifts IUPAC recommendations 2008
Keywords: Anisotropy شبیه سازی شیمیایی; Nuclear magnetic resonance; Recommendations; Chemical shifts; Conventions; IUPAC physical and biophysical chemistry division; Shielding tensors; TMS; tetramethylsilane; DSS; sodium-3-(trimethylsilyl)propanesulfonate-commonly called sodium-2; 2-dimethyl-
Solid-state 17O NMR studies of organic and biological molecules
Keywords: Anisotropy شبیه سازی شیمیایی; ADLF; adiabatic demagnetization in the laboratory frame; CCD; coupled cluster theory with double excitation; CID; configuration interaction with double excitation; CP; cross polarization; CPF; coupled pair functional; CS; chemical shift; CSA; chemical shi
Practical aspects of 51V and 93Nb solid-state NMR spectroscopy and applications to oxide materials
Keywords: Anisotropy شبیه سازی شیمیایی; CP; cross polarization; CS; chemical shielding; CSA; chemical shift anisotropy; CT; central transition; CW; continuous wave; CW-NMR; continuous wave nuclear magnetic resonance; DAS; dynamic-angle spinning; DeNOx; nitrogen oxide abatement; DFT; density fun
Symmetry-based recoupling of proton chemical shift anisotropies in ultrahigh-field solid-state NMR
Keywords: Anisotropy شبیه سازی شیمیایی; Proton MAS NMR; Chemical shift anisotropy; Recoupling; CRAMPS; Hydrogen bonding;
Cs4P2Se10: A new compound discovered with the application of solid-state and high temperature NMR
Keywords: Anisotropy شبیه سازی شیمیایی; NMR; Solid state; High temperature; Chalcogenides; Metal selenophosphates; Phosphorus; 31PCSA; Chemical shift anisotropy; MAS; Magic angle spinning
Determination of NMR interaction parameters from double rotation NMR
Keywords: Anisotropy شبیه سازی شیمیایی; Solid-state NMR; Double rotation; Quadrupolar interaction; Chemical shift anisotropy; J-coupling; Dipolar coupling; Oxygen-17;
Ligand- and substrate-based 19F NMR screening: Principles and applications to drug discovery
Keywords: Anisotropy شبیه سازی شیمیایی; ALARM; a La assay to detect reactive molecules; BEI; binding efficiency index; CPMG; Carr-Purcell-Meiboom-Gill; CSA; chemical shift anisotropy; ERETIC; electronic reference to access in vivo concentrations; FA; fluorescence anisotropy; FABS; fluorin
Chemical shift anisotropy amplification
Keywords: Anisotropy شبیه سازی شیمیایی; Magic angle spinning; Sideband manipulation; Chemical shift anisotropy; CSA amplification; CSA tensor; Orientational order; Molecular dynamics;
Assigning solid-state NMR spectra of aligned proteins using isotropic chemical shifts
Keywords: Anisotropy شبیه سازی شیمیایی; Bicelle; Lanthanide; Chemical shift anisotropy; Membrane protein;
Chemical shift anisotropy amplification with high amplification factor and improved sensitivity
Keywords: Anisotropy شبیه سازی شیمیایی; Chemical shift anisotropy; Magic angle spinning; Spinning sidebands;
Modeling of 31P-NMR spectra of magnetically oriented phospholipid liposomes: A new analytical solution
Keywords: Anisotropy شبیه سازی شیمیایی; CSA; chemical shift anisotropy; DPPG; dipalmitoylphosphatidylglycerol; PPL; prolate phospholipid liposomes; FID; free induction decay; 31P-NMR spectroscopy; Prolate phospholipid liposomes; Deformation by the magnetic field; Modeling of NMR spectra; Analyt
Applications of the CSA-amplified PASS experiment
Keywords: Anisotropy شبیه سازی شیمیایی; Solid-state NMR; Magic-angle spinning; Chemical shift anisotropy; Recoupling; Homonuclear dipolar coupling;
Existence of lipid microdomains in bilayer of dipalmitoyl phosphatidylcholine (DPPC) and 1-stearoyl-2-docosahexenoyl phosphatidylserine (SDPS) and their perturbation by chlorpromazine : A 13C and 31P solid-state NMR study
Keywords: Anisotropy شبیه سازی شیمیایی; CPZ; Chlorpromazine; CSA; Chemical Shift Anisotropy; DMPC; Dimyristoyl phosphatidylcholine (14Â :Â 0/14Â :Â 0 PC); DMPE; Dimyristoyl phosphatidylethanolamine (16Â :Â 0/16Â :Â 0 PE); DPPC; Dipalmitoyl phosphatidylcholine (16Â :Â 0/16Â :Â 0 PC); HPLC; High
Effects of the anti-neoplastic agent ET-18-OCH3 and some analogs on the biophysical properties of model membranes
Keywords: Anisotropy شبیه سازی شیمیایی; DEPE; 1,2-dieladoyl-sn-glycero-3-phosphoethanolamine; DMPC; 1,2-dimyristoyl-sn-glycero-3-phosphocholine; DSC; differential scanning calorimetry; EDTA; ethylenediaminetetraacetic acid; ET-16-OCH3-Ser; 1-O-hexadecyl-2-O-methyl-sn-glycero-3-phosphocholine; E
Carbon-13 NMR spectroscopy applied to columnar liquid crystals
Keywords: Anisotropy شبیه سازی شیمیایی; Columnar liquid crystals; Solid-state NMR; Carbon-13 NMR; Dipolar coupling; Chemical shift anisotropy;
Insights into the mechanism of action of platinum anticancer drugs from multinuclear NMR spectroscopy
Keywords: Anisotropy شبیه سازی شیمیایی; AMP; adenosine monophosphate; CBCDA; cyclobutane-1,1-dicarboxylato; CMP; cytidine monophosphate; CSA; chemical shift anisotropy; CysH; cysteine; DACH; 1R,2R-diaminocyclohexane; DEPT; distortionless enhancement by polarization transfer; dGMP; deoxyguanosin
13C Solid-state NMR chemical shift anisotropy analysis of the anomeric carbon in carbohydrates
Keywords: Anisotropy شبیه سازی شیمیایی; Anomeric effect; Solid-state NMR; Asymmetry in the electron cloud distribution; Chemical shift anisotropy;
Accurate CSA measurements from uniformly isotopically labeled biomolecules at high magnetic field
Keywords: Anisotropy شبیه سازی شیمیایی; Chemical shift anisotropy; Dipolar coupling; Magic angle spinning; Biological structure; High field;
Importance of polyunsaturated acyl chains in chlorpromazine interaction with phosphatidylserines: A 13C and 31P solid-state NMR study
Keywords: Anisotropy شبیه سازی شیمیایی; CPZ; Chlorpromazine; CSA; Chemical Shift Anisotropy; DMPC; Dimyristoyl phosphatidylcholine (14:0/14:0 PC); DMPE; Dimyristoyl phosphatidylethanolamine (16:0/16:0 PE); DPPC; Dipalmitoyl phosphatidylcholine(16:0/16:0 PC); HPLC; High pressure liquid chromatog
Correlating fast and slow chemical shift spinning sideband patterns in solid-state NMR
Keywords: Anisotropy شبیه سازی شیمیایی; Solid-state NMR; Magic-angle spinning; Chemical shift anisotropy; Recoupling;
Structural changes in a binary mixed phospholipid bilayer of DOPG and DOPS upon saposin C interaction at acidic pH utilizing 31P and 2H solid-state NMR spectroscopy
Keywords: Anisotropy شبیه سازی شیمیایی; Sap C; Saposin C; SCD; Molecular Order Parameters; CSA; Chemical Shift Anisotropy; GCase; Glucosylceramidase; CL; Cardiolipin; DOPG; Dioleoylphosphatidylglycerol; DOPS; Dioleoylphosphatidylserine; PC; Phosphoatidyecholines; PG; Phosphatidylglycerol; PS; P
Antimicrobial activity and membrane selective interactions of a synthetic lipopeptide MSI-843
Keywords: Anisotropy شبیه سازی شیمیایی; CSA; chemical shift anisotropy; CD; circular dichroism; DiPoPE; 1,2-dipalmitoleoyl-sn-glycero-3-phosphotydylethanolamine; DSC; differential scanning calorimetry; HI; normal hexagonal phase; HII; inverted hexagonal phase; ITC; isothermal titration calorime