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Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies

Muhammad Akram, Muhammad Adeel, Muhammad Khalid, Muhammad Nawaz Tahir, H. A. Rahnamaye Aliabad, Malik Aman Ullah, Javed Iqbal, Ataualpa Albert Carmo Braga

Journal of Molecular Structure · 2020 · 12 citations · 42 references

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42

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

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Electrophilicity Index

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

, , +3

cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

Natural bond orbital methods

Eric D. Glendening, Clark R. Landis, Frank Weinhold · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.7K citations

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Introduction to nonlinear optical effects in molecules and polymers

N.S. Allen · Journal of Photochemistry and Photobiology A Chemistry · 1992 · 1.3K citations

, , +12