Concepedia

Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one

Dian Alwani Zainuri, Suhana Arshad, Nuridayanti Che Khalib, Ibrahim Abdul Razak, Renjith Raveendran Pillai, S. Fariza Sulaiman, N. Shafiqah Hashim, Kheng Leong Ooi, Stevan Armaković, Sanja J. Armaković,

Journal of Molecular Structure · 2016 · 61 citations · 47 references

DOI

Concepts

References

47

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

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

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

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

, , +17

Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds

Frank H. Allen, Olga Kennard, Lee Brammer et al. · Journal of the Chemical Society Perkin Transactions 2 · 1987 · 8K citations

, , +16