Concepedia

Correlating geminal <sup>2</sup><i>J</i><sub>Si–O–Si</sub> couplings to structure in framework silicates

Deepansh J. Srivastava, Pierre Florian, Jay H. Baltisberger, Philip J. Grandinetti

Physical Chemistry Chemical Physics · 2017 · 14 citations · 38 references

DOI

Concepts

Abstract

The dependence of a <sup>29</sup>Si geminal <italic>J</italic> coupling across the inter-tetrahedral linkage on local structure was examined using first-principles DFT calculations.

References

38

Matplotlib: A 2D Graphics Environment

John D. Hunter · Computing in Science & Engineering · 2007 · 39.6K citations

, , +17

The NumPy Array: A Structure for Efficient Numerical Computation

Stéfan van der Walt, Steven C. Colbert, Gaël Varoquaux · Computing in Science & Engineering · 2011 · 11.1K citations · Full text

, , +14

High-resolution solid-state NMR of silicates and zeolites

B. Boddenberg · Applied Catalysis · 1988 · 1.8K citations

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Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

, , +13

LMFIT: Non-Linear Least-Square Minimization and Curve-Fitting for Python

M. Newville, Till Stensitzki, Daniel B. Allen et al. · Zenodo (CERN European Organization for Nuclear Research) · 2014 · 1.3K citations · Full text

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