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O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation

Muhammad Khalid, Akbar Ali, Sadia Haq, Muhammad Nawaz Tahir, Javed Iqbal, Ataualpa Albert Carmo Braga, Muhammad Ashfaq, Samee Ul Hassan Akhtar

Journal of Molecular Structure · 2020 · 50 citations · 39 references

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39

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

Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

Joel Bernstein, R. Davis, Liat Shimoni et al. · Angewandte Chemie International Edition in English · 1995 · 8.2K citations

, , +16

Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

, , +12

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

, , +3

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

B. Miehlich, Andreas Savin, Hermann Stoll · Chemical Physics Letters · 1989 · 7.3K citations

, , +12