Concepedia

Investigations based on non-covalent interactions in 1-(4-chloromethylbenzoyl)-3-(4, 6-di-substituted pyrimidine-2-yl)thioureas: Synthesis, characterizations and quantum chemical calculations

Yu Zhang, Jie Huang, Lei Qiao, Xing Zhang, Weili Cao, Zimei Ding, Xiaojing Hang, Baofu Qin, Jirong Song

Journal of Molecular Structure · 2018 · 17 citations · 36 references

DOI

Concepts

References

36

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

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VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

, , +15

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

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Structure validation in chemical crystallography

Anthony L. Spek · Acta Crystallographica Section D Biological Crystallography · 2009 · 15.3K citations · Full text

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