Hybrid functional calculations of the Al impurity inαquartz: Hole localization and electron paramagnetic resonance parameters

Physical Review B ◽

10.1103/physrevb.85.014117 ◽

2012 ◽

Vol 85 (1) ◽

Author(s):

Roland Gillen ◽

John Robertson

Keyword(s):

Electron Paramagnetic Resonance ◽

Hybrid Functional ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic ◽

Hole Localization

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Structure and electron paramagnetic resonance parameters of the manganese site of concanavalin A studied by density functional methods

Theoretical Chemistry Accounts ◽

10.1007/s00214-008-0420-0 ◽

2008 ◽

Vol 120 (4-6) ◽

pp. 437-445 ◽

Author(s):

Sandra Schinzel ◽

Robert Müller ◽

Martin Kaupp

Keyword(s):

Electron Paramagnetic Resonance ◽

Concanavalin A ◽

Density Functional ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Density Functional Methods ◽

Functional Methods ◽

Electron Paramagnetic

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Fine structure of energy levels and electron paramagnetic resonance parameters of Ni2+ doped in CsCdCl3

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2021.168216 ◽

2021 ◽

pp. 168216

Author(s):

Wang Fang ◽

Heng-Jie Chen ◽

Gang Zhang ◽

Hong-gang Liu

Keyword(s):

Electron Paramagnetic Resonance ◽

Fine Structure ◽

Energy Levels ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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Investigations of the electron paramagnetic resonance parameters and defect structures for Cu2+ ions in BeO crystal with trigonally distorted tetrahedral symmetry

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2018.11.081 ◽

2019 ◽

Vol 475 ◽

pp. 234-239 ◽

Author(s):

Wang Fang ◽

Da-Xiao Yang ◽

Heng-Jie Chen ◽

Wen-De Cheng ◽

Wen-Chen Zheng

Keyword(s):

Electron Paramagnetic Resonance ◽

Defect Structures ◽

Tetrahedral Symmetry ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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Examination of the electron paramagnetic resonance parameters and their pressure-induced shifts for the Mn2+ ion in Na2ZnCl4·3H2O

Materials Science and Engineering B ◽

10.1016/s0921-5107(01)00631-6 ◽

2001 ◽

Vol 86 (3) ◽

pp. 206-209

Author(s):

Lei Yu

Keyword(s):

Electron Paramagnetic Resonance ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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Computational study of electron paramagnetic resonance parameters for Mg and Zn impurities in β-Ga2O3

Applied Physics Letters ◽

10.1063/1.5099396 ◽

2019 ◽

Vol 114 (20) ◽

pp. 202102 ◽

Author(s):

Dmitry Skachkov ◽

Walter R. L. Lambrecht

Keyword(s):

Electron Paramagnetic Resonance ◽

Computational Study ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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Theoretical investigation of electron paramagnetic resonance parameters and lattice distortion in α-Al2O3crystal doped with V3+ions

Radiation Effects and Defects in Solids ◽

10.1080/10420150600825800 ◽

2006 ◽

Vol 161 (9) ◽

pp. 523-527 ◽

Author(s):

Guang-Ping Zheng ◽

Rui-Feng Li

Keyword(s):

Electron Paramagnetic Resonance ◽

Theoretical Investigation ◽

Lattice Distortion ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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Electron paramagnetic resonance parameters and equilibria of manganese(II)–amino-acid complexes in aqueous solution

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29750000769 ◽

1975 ◽

pp. 769-773 ◽

Author(s):

E. Tiezzi

Keyword(s):

Aqueous Solution ◽

Electron Paramagnetic Resonance ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Amino Acid Complexes ◽

Electron Paramagnetic

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Electronic Structure Studies of Quinones and Semiquinones: Accurate Calculation of Spin Densities and Electron Paramagnetic Resonance Parameters

Antioxidants and Redox Signaling ◽

10.1089/15230860152665000 ◽

2001 ◽

Vol 3 (5) ◽

pp. 825-838 ◽

Author(s):

Patrick J. O'Malley

Keyword(s):

Electron Paramagnetic Resonance ◽

Electronic Structure ◽

Accurate Calculation ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic ◽

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Theoretical studies of the local structures and electron paramagnetic resonance parameters for Cu2+center in Zn(C3H3O4)2(H2O)2single crystal

Radiation Effects and Defects in Solids ◽

10.1080/10420150.2014.913590 ◽

2014 ◽

Vol 169 (7) ◽

pp. 603-609 ◽

Author(s):

Hua-Ming Zhang ◽

Wen-Bo Xiao ◽

Xiong Wan

Keyword(s):

Electron Paramagnetic Resonance ◽

Theoretical Studies ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Local Structures ◽

Electron Paramagnetic

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Electron paramagnetic resonance parameters for variousV3+centers in4H- and6H−SiCcrystals

Physical Review B ◽

10.1103/physrevb.66.245206 ◽

2002 ◽

Vol 66 (24) ◽

Author(s):

Zheng Wen-Chen ◽

Wu Shao-Yi ◽

Gong Ming ◽

Zi Jian

Keyword(s):

Electron Paramagnetic Resonance ◽

Paramagnetic Resonance ◽

Resonance Parameters ◽

Electron Paramagnetic

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