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easyspin simulation toolbox release 5.2.36  (MathWorks Inc)


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    MathWorks Inc easyspin simulation toolbox release 5.2.36
    Easyspin Simulation Toolbox Release 5.2.36, supplied by MathWorks Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/easyspin+simulation+toolbox+release+5%2E2%2E36/pm40112093__ja4c17893_si_001-466-12-18
    Average 90 stars, based on 1 article reviews
    easyspin simulation toolbox release 5.2.36 - by Bioz Stars, 2026-09
    90/100 stars

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    Expressing:

    Article Title: Molybdenum-Iron-Sulfur Cluster with a Bridging Carbide Ligand as a Partial FeMoco Model: CO Activation, EPR Studies, and Bonding Insight.
    Article Snippet: .. Simulations of all CW and pulse EPR data were achieved using the EasySpin simulation toolbox (release 5.2.36)11 with Matlab 2022b using the following Hamiltonian: HH� = μμBBBB�⃑ 0gg?̂?S + ?̂?S ∙ DD ∙ ?̂?S + μμNNggNNBB�⃑ 0II + h?̂?S ∙ AA ∙ II + hII ∙ PP ∙ II (3) In this expression, the first term corresponds to the electron Zeeman interaction term where μμBB is the Bohr magneton, g is the electron spin g-value matrix with principle components g = [gxx gyy gzz], and ?̂?S is the electron spin operator; for spin systems with multiple unpaired electrons (S > 1/2) the second term corresponds to the zero-field splitting interaction between individual electron spins; the third term corresponds to the nuclear Zeeman interaction term where μμNN is the nuclear magneton, ggNN is the characteristic nuclear g-value for each nucleus (e.g. 1H, 13C, 31P) and II is the nuclear spin operator; the third term corresponds to the electron-nuclear hyperfine term, where AA is the hyperfine coupling tensor with principle components AA = [Axx, Ayy, Azz]; and for nuclei with II ≥ 1, the final term corresponds to the nuclear quadrupole (NQI) term which arises from the interaction of the nuclear quadrupole moment with the local electric field gradient (efg) at the nucleus, where PP is the quadrupole coupling tensor. ..



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    MathWorks Inc easyspin simulation toolbox release 5.2.36
    Easyspin Simulation Toolbox Release 5.2.36, supplied by MathWorks Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/easyspin+simulation+toolbox+release+5%2E2%2E36/pm40112093__ja4c17893_si_001-466-12-18
    Average 90 stars, based on 1 article reviews
    easyspin simulation toolbox release 5.2.36 - by Bioz Stars, 2026-09
    90/100 stars
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