Author:
Valderrey Virginia,Aragay Gemma,Ballester Pablo
Subject
Materials Chemistry,Physical and Theoretical Chemistry,Inorganic Chemistry
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2. Geometries of the complexes were refined by performing an optimize geometry calculation with Molecular Mechanics using augmented MM3 parameters as implemented in the software CAChe WorkSystem Pro Version 6.1.12.33, Fujitsu Limited. A conjugate gradient method was used for energy minimization with a convergence energy criterion of 0.001kcal/mol.
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5. Absolute Stereochemical Determination of Chiral Carboxylates Using an Achiral Molecular Tweezer
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