Density Functional Calculations on Alanine-Derived Radicals: influence of Molecular Environment on EPR Hyperfine Coupling Constants

E. Pauwels; V. Van Speybroeck; P. Lahorte

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Density Functional Calculations on Alanine-Derived Radicals: influence of Molecular Environment on EPR Hyperfine Coupling Constants

机译：丙氨酸衍生基团的密度泛函计算：分子环境对EPR超细偶联常数的影响

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The amino acid L-#alpha#-alanine and its associated radiation-induced radicals display particular characteristics in solid-state that make it very appropriate for use in Electron Paramagnetic Resonance (EPR) dosimetry.

机译：氨基酸L-＃alpha＃-丙氨酸及其相关的辐射诱导自由基在固态下显示出特定的特征，这使其非常适合用于电子顺磁共振（EPR）剂量测定。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2001年第38期|共11页
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E. Pauwels; V. Van Speybroeck; P. Lahorte;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Density Functional Calculations on Alanine-Derived Radicals: influence of Molecular Environment on EPR Hyperfine Coupling Constants [J] . E. Pauwels, V. Van Speybroeck, P. Lahorte The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第38期

机译：丙氨酸衍生基团的密度泛函计算：分子环境对EPR超细偶联常数的影响
2. Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 1: A Comparison of Ab Initio and Density Functional Methods in Calculations in Calculations of Molecular Geometry and Isotropic Hyperfine Coupling Constants [J] . Piotr Kaszynski The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第32期

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3. Density Functional Calculations Modelling the Spin Density Distribution, Hyperfine Couplings, and Hydrogen Nonding Environment of the Ascorbate (Vitamin C) Free Radical [J] . Patrick J. OMalley The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2001,第45期

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5. Quantum chemical calculations of Fermi contact coupling constants in large organic radicals [D] . Liang, Liyuan 2011

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6. Triarylmethyl Radicals: EPR Study of 13C Hyperfine Coupling Constants [O] . Andrey A. Kuzhelev, Victor M. Tormyshev, Olga Yu. Rogozhnikova, -1

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8. Factors Influencing the Magnitude of Alpha-13C Hyperfine Couplings in Cyclosilane Anion Radicals [R] . Wadsworth, C. L., West, R. 1985

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Density Functional Calculations on Alanine-Derived Radicals: influence of Molecular Environment on EPR Hyperfine Coupling Constants

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