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Appendix A. Keyword Reference |  |
| FACARB | ||
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Appendix A. Keyword Reference | |
FACARB — Specify the fraction of non-hydrogenic solvent atoms that are carbon atoms contained in an aromatic ring.
FACARB=n.nn
The FACARB=n.nn keyword specifies the fraction of
non-hydrogenic solvent atoms that are carbon atoms contained in an aromatic ring. Hence, the
value must necessarily be between zero and one for all solvents. The file
solvent.data
contains values of FACARB for 178 common organic solvents, but FACARB can be
calculated simply for any organic solvent.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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FCTOR3 |