Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 3: Fe, Co, Ni, Pd, and Pt Glycinates

Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 3: Fe, Co, Ni, Pd, and Pt Glycinates

The relativistic effects of the values of the shielding constants of <sup>1</sup>H, <sup>13</sup>C, <sup>15</sup>N, <sup>57</sup>Fe, <sup>59</sup>Co, <sup>61</sup>Ni, <sup>105</sup>Pd, and <sup>195</sup>P...

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Bibliographic Details
Main Authors: Dmitry O. Samultsev, Valentin A. Semenov, Leonid B. Krivdin
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Magnetochemistry
Subjects:
shielding constants of <sup>57</sup>Fe, <sup>59</sup>Co, <sup>61</sup>Ni, <sup>105</sup>Pd, and <sup>195</sup>Pt nuclei
chelate transition metal complexes
four-component relativistic level
electron correlation effects
HF
DFT
Online Access:https://www.mdpi.com/2312-7481/9/3/83

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https://www.mdpi.com/2312-7481/9/3/83

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