Tamar Schlick1,2, Thomas C Bishop3. 1. Department of Chemistry and Courant Institute of Mathematical Sciences, New York University, 251 Mercer Street, New York, 10012 NY USA. 2. NYU-ECNU, Center for Computational Chemistry, NYU Shanghai, Shanghai, People's Republic of China. 3. Departments of Chemistry and Physics, Louisiana Tech University, Ruston, LA 71272 USA.
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