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Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer
Download from doi.orgStiffness and Raman Intensity: a Conceptual and Computational DFT Study
UploadVariational calculation of vibrational linear and nonlinear optical properties
Download from www.researchgate.netThe Gas-Phase Hydrogen Bond Complexes between Formic Acid with Hydroxyl Radical: A Theoretical Study
UploadThe hardness profile as a tool to detect spurious stationary points in the potential energy surface
Download from dugi-doc.udg.eduRelations among several nuclear and electronic density functional reactivity indexes
Download from dugi-doc.udg.eduGlobal Hardness Evaluation Using Simplified Models for the Hardness Kernel
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