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Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach
Osman, Hussien H .; Andres, Juan; Salvadó, Miguel A.; Recio, José Manuel American Chemical Society (2018-08)Very recently, we have analyzed the nature of chemical interactions in a wide variety of molecules and materials using the chemical pressure (CP) approach. We have shown how this newly developed formalism can be used to ...