11 matlab symbolic math toolbox (MathWorks Inc)
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11 Matlab Symbolic Math Toolbox, supplied by MathWorks Inc, used in various techniques. Bioz Stars score: 94/100, based on 429 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Software:Article Title: High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopic Analysis of Metal-Ligand Covalency in a 4f 7 Valence Series (Eu 2+ , Gd 3+ , and Tb 4+ ). Article Snippet: All simulations of EPR spectra were performed using EasySpin software, which uses the Matlab toolbox.11 To facilitate a direct comparison across the series, truncated models of 1-Eu, 2- Gd, 3-Gd, and 4-Tb as well as the hypothetical f7 series [LnCl4]-/0/+ (Ln = Eu2+, Gd3+, Tb4+) were optimized using the BP86 functional with the following basis sets: SARC-zora-TZVP (Eu, Gd, Tb) / zora-def2-TZVP (P,N,C,H).16–19 Dispersion was accounted for by Grimme’s DFT-D3(BJ) method. .. All simulations of EPR spectra were performed using EasySpin software, which uses the Comparison:Article Title: High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopic Analysis of Metal-Ligand Covalency in a 4f 7 Valence Series (Eu 2+ , Gd 3+ , and Tb 4+ ). Article Snippet: All simulations of EPR spectra were performed using EasySpin software, which uses the Matlab toolbox.11 To facilitate a direct comparison across the series, truncated models of 1-Eu, 2- Gd, 3-Gd, and 4-Tb as well as the hypothetical f7 series [LnCl4]-/0/+ (Ln = Eu2+, Gd3+, Tb4+) were optimized using the BP86 functional with the following basis sets: SARC-zora-TZVP (Eu, Gd, Tb) / zora-def2-TZVP (P,N,C,H).16–19 Dispersion was accounted for by Grimme’s DFT-D3(BJ) method. .. All simulations of EPR spectra were performed using EasySpin software, which uses the Functional Assay:Article Title: High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopic Analysis of Metal-Ligand Covalency in a 4f 7 Valence Series (Eu 2+ , Gd 3+ , and Tb 4+ ). Article Snippet: All simulations of EPR spectra were performed using EasySpin software, which uses the Matlab toolbox.11 To facilitate a direct comparison across the series, truncated models of 1-Eu, 2- Gd, 3-Gd, and 4-Tb as well as the hypothetical f7 series [LnCl4]-/0/+ (Ln = Eu2+, Gd3+, Tb4+) were optimized using the BP86 functional with the following basis sets: SARC-zora-TZVP (Eu, Gd, Tb) / zora-def2-TZVP (P,N,C,H).16–19 Dispersion was accounted for by Grimme’s DFT-D3(BJ) method. .. All simulations of EPR spectra were performed using EasySpin software, which uses the Dispersion:Article Title: High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopic Analysis of Metal-Ligand Covalency in a 4f 7 Valence Series (Eu 2+ , Gd 3+ , and Tb 4+ ). Article Snippet: All simulations of EPR spectra were performed using EasySpin software, which uses the Matlab toolbox.11 To facilitate a direct comparison across the series, truncated models of 1-Eu, 2- Gd, 3-Gd, and 4-Tb as well as the hypothetical f7 series [LnCl4]-/0/+ (Ln = Eu2+, Gd3+, Tb4+) were optimized using the BP86 functional with the following basis sets: SARC-zora-TZVP (Eu, Gd, Tb) / zora-def2-TZVP (P,N,C,H).16–19 Dispersion was accounted for by Grimme’s DFT-D3(BJ) method. .. All simulations of EPR spectra were performed using EasySpin software, which uses the |
