Electrostatic potential comparison and molecular metric spaces |
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| Authors: | Ramon Carbot Eduard Suñe Felix Lapeña Jose Perez |
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| Affiliation: | (1) Seccio de Quimica Quantica Departament de Quimiometria, Institut Quimic de Sarria, 08017 Barcelona, Spain;(2) Departament de Bioestadistica, Facultat de Medicina, Universidad Antonoma de Barcelona, Bellaterra (Barcelona), Spain |
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| Abstract: | A possible definition of a metric associated with a set of electrostatic molecular potentials is analyzed. Examples of its application to formaldehyde and analogous structures, and to MAO substrates are presented. |
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