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A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water

Ricardo A Mata1, Hermann Stoll1, B J Costa Cabral1

  • 1Grupo de Física-Matemática da Universidade de Lisboa, Avenue Professor Gama Pinto 2, 1649-003 Lisboa, Portugal, Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany, and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016, Lisboa, Portugal.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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