1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan, Chemical Sciences Division, Oak Ridge National Laboratory, MS6201, Oak Ridge, Tennessee 37931-6201, Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100191, People's Republic of China, National Center for Nanoscience and Technology of China, Beijing 100080, People's Republic of China,...