Concepedia

Antiparallel π···π and C−H···H−C contacts in a novel Zn(II) coordination solid involving π-hole tetrel bonding interactions: A combined experimental and theoretical study, Hirshfeld surface analysis, molecular docking and potential drug property

Swah Mohd. Nashre‐ul‐Islam, Kamala Kanta Borah, Füreya Elif Öztürkkan, Muhammad Asam Raza, Antonio Frontera, Diego M. Gil

Journal of Molecular Structure · 2022 · 10 citations · 49 references

References

49

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

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

Natural Sciences, Biophysics, Chemistry +16

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

Natural Sciences, Chemistry, Physics +14

Multiwfn: A multifunctional wavefunction analyzer

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

Natural Sciences, Chemistry, Visualization +15

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

<i>WinGX</i>suite for small-molecule single-crystal crystallography

Louis J. Farrugia · Journal of Applied Crystallography · 1999 · 18.9K citations

Natural Sciences, Chemistry, Computational Chemistry +11