✦ LIBER ✦

Analysis of the IGLO bond contributions to the 13C shielding tensors in the local bond frame

✍ Scribed by Julio C. Facelli; David M. Grant; Josef Michl

Publisher: John Wiley and Sons
Year: 1987
Tongue: English
Weight: 648 KB
Volume: 31
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560310106

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Measuring the 13C NMR Shielding Tensor o

Measuring the 13C NMR Shielding Tensor of 13CO Bonded to Haemoglobin

✍ P.J. Barrie; I.P. Gerothanassis; M. Momenteau; G.E. Hawkes 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 264 KB

Intermolecular hydrogen-bonding effects

Intermolecular hydrogen-bonding effects on the 13C NMR shielding tensor of the carbonyl carbon nucleus in a single crystal of dimedone

✍ K Takegoshi; A Naito; C.A McDowell 📂 Article 📅 1985 🏛 Elsevier Science ⚖ 601 KB

The 13C chemical shielding, 14N quadropo

The 13C chemical shielding, 14N quadropole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex

✍ Jelena Šepa; R.J. Gorte; David White; E. Kassab; M. Allavena 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The principal components and orientation of the principal axes of the ~3C chemical shielding, 14N electric field gradient and CN dipolar tensors of the nitrile group of the 1 : 1 stoichiometric acetonitrile-H-ZSM-5 adsorption complex have been determined from ~3C NMR static and variable-angle slow s

Hydrogen Bonding Effects on the 13C NMR

Hydrogen Bonding Effects on the 13C NMR Chemical Shift Tensors of Some Amino Acids in the Solid State

✍ Guang Zheng; Liming Wang; Jianzhi Hu; Xiaodong Zhang; Lianfang Shen; Chaohui Ye; 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 2 views

The inÑuence of hydrogen bonding (HB) on the 13C chemical shift tensors in four solid amino acids was studied by the ab initio gauge-included atomic orbital (GIAO) approach. The results of the present calculations were compared with those predicted previously and with the experimentally observed shi

Intermolecular hydrogen-bonding effects

Intermolecular hydrogen-bonding effects on13C NMR shielding for enol forms of diketones in the solid state

✍ F. Imashiro; S. Maeda; K. Takegoshi; T. Terao; A. Saika 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 225 KB

From high-resolution solid-state lSC NMR spectra for the enol forms of some diketones, an average chemical shift of the carbonyl and enol carbons in dimedone is found to move remarkably downfield compared with the corresponding shift in DMSO~/6, which is ascribed to a strong intermolecular hydrogen

15N Chemical-Shift Tensors and Hydrogen-

15N Chemical-Shift Tensors and Hydrogen-Bond Geometries of 3,5-Substituted Pyrazoles and Their Orientation in the Molecular Frame

✍ C.G. Hoelger; F. Aguilar-Parrilla; J. Elguero; O. Weintraub; S. Vega; H.H. Limba 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 213 KB

The results of various 15 N solid-state NMR experiments perin the molecular principal axis system (PAS) is necessary formed on solid samples of doubly 15 N-labeled 3,5-dimethylpyrafor the analysis of several solid-state NMR experiments, e.g., zole, 5-methyl-3-phenylpyrazole, (PMP), and 3,5-diphenylp