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BSSE-free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer
UploadBasis 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 www.researchgate.netRelations 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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