Chapter 1: QM/MM with Auxiliary DFT in deMon2k

Juan D. Samaniego-Rojas, Luis Ignacio Hernández-Segura, Luis López-Sosa, Rogelio I. Delgado-Venegas, Badhin Gomez, Jean Christophe Lambry, Aurelien De La Lande, Tzonka Mineva, José Alejandre, Bernardo A. Zúñiga-Gutiérrez, Roberto Flores-Moreno, Patrizia Calaminici, Gerald Geudtner, Andreas M. Köster

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

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Biochemistry, Genetics and Molecular Biology

Chemical Engineering