Table_ISM.doc 14KB Jun 05 2011 09:30:50 PM
              
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The difference between the 1 H nuclear shielding tensors (ppm downfield shift) for the non-bonded and bonded O- H protons in various diols, calculated at the.
Selected frontier molecular orbitals (FMOs) of Clhfaox and
Selected frontier molecular orbitals (FMOs) of
* means out of the molecular plane vibrational modes at this wave number; * means  and  combined vibrational modes..
generated using the software pakage Maple and are inluded for
poly funs. and poly funs.h, whih are also given in this supplement.. The programs are written in ANSI-ompliant C, and should
TAE/RECON PETN Molecular Surface Properties
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