1. Departamento de Química, FFCLRP, Universidade de São Paulo, Avenida Bandeirantes 3900, Ribeirão Preto, 14040-901 São Paulo Brazil
2. Amsterdam Center for Multiscale Modeling, Faculty of Science, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
3. Van’t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands
4. Software for Chemistry & Materials BV, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
5. Department of Environmental Science, Physics, Physical Education and Sport, Lucian Blaga University of Sibiu, loan Ratiu Street, Nr. 7-9, 550012 Sibiu, Romania