We present preliminary data supporting a hypothesis that the mutagenicity of arylboronic acids is related to the 11B NMR chemical shift. This could indicate that the mutagenic activity of the arylboronic acids is related to the reactivity of the boron center.Maria L. Pellizzaro...
The structure of the eight-vertex nido-carborane C2B6H10 has been investigated by employing the ab initio/IGLO/ NMR method. The experimental 11B NMR chemical shifts for C2B6H10 are compatible with three different structures (one static a... JW Bausch,GKS Prakash,M Buehl,... - 《Inorganic ...
Part 72—NMR spectra and stereochemistry of 8,9,10,11,11a,11b,12,13-octahydro-7aH-quino [1,2-c][1,3]benzoxazines and perhydropyrido [1,2-c][1,3]benzoxazines. NMR chemical shifts of methylene group protons adjacent to a nitrogen atom. Magn. Reson. Chem., 31: 505–508. doi: ...
1. Sterenin B, C and D According to the NMR analysis of sterenin B, C and D shown in Fig. 3, it was concluded that they were different analogues based on variations of the N-linked side chain in sterenin A (Fig. 1). Biological Activities Sterenin homologues inhibited human 11b -...
This document is part of Part 3 of Subvolume H 'Chemical Shifts and Coupling Constants for Phosphorus-31' of Landolt-Brnstein III/40 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.It contains Phosphorus-31 NMR data (chemical shift, coupling constant), structural diagram, and ...
Chemical shifts (ppm) of XCH2CH2CH3Et HOOC SH NH2 Ph Br Cl OH NO2实验十六有机化合物核磁共振碳谱的测定实验十六 有机化合物核磁共振碳谱的测定实验目的• 1. 通过实验掌握核磁共振的根本原理。 • 2. 掌握1HNMR、13CNMR 谱图的分析方法。 • 3. 初步了解二维谱图。实验原理...
chemical shift SCF level Xalpha approach organic molecules methyl methacrylate transition metal complexes photoionization chemical shifts/ A3120J Local density approximation (atoms and molecules) A3325D Chemical shifts (molecular NMR) A3365 Photoelectron spectra of molecules A3380E Autoionization, ...
11B NMR Spectra of Boranes, Main-Group Heteroboranes, and Substituted Derivatives. Factors Influencing Chemical Shifts of Skeletal Atoms. Chem. Rev. 1992, 92, 325-362.Heřmánek S (1992) 11 B NMR spectra of boranes, main-group heteroboranes, and substituted derivatives. Factors influencing ...
11B NMR chemical shifts and linewidths have been measured in very dilute aqueous solutions of boric acid and borates. The results can be explained bv taking pH dependent weighted averages over the species B(OH)3 and B(OH)4. The11B10B primary isotope effect on the magnetic shielding is ...
Data in the literature from NMR chemical shielding calculations at Hartree-Fock, MP2, MP3, and MP4 levels using large basis sets suggest that the ratio of ... DB Chesnut - 《Chemical Physics Letters》 被引量: 43发表: 1995年 Correlation between urinary tract pure stone composition and stone...