Synthesis, crystal structure, spectroscopic investigations and DFT calculations of the copper(II) complex of 4-(Trifluoromethyl)pyridine-2-carboxylic acid

Generalized Gradient Approximation Made Simple

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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

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Generalized gradient approximation for the exchange-correlation hole of a many-electron system

John P. Perdew, Kieron Burke, Yue Wang · Physical review. B, Condensed matter · 1996 · 6.8K citations

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An Evaluation of Harmonic Vibrational Frequency Scale Factors

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Inter-ligand reactions: in situ formation of new polydentate ligands

R.A. Coxall, Steven G. Harris, David K. Henderson et al. · Journal of the Chemical Society Dalton Transactions · 2000 · 564 citations

Natural Sciences, Chemistry, Crystal Structure +16