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Please use this identifier to cite or link to this item: http://hdl.handle.net/10042/to-1635

Title: C 16 H 11 F 3 O 1
Authors: Henry S Rzepa
Issue Date: 29-Jan-2009
Publisher: Imperial College London
URI: http://hdl.handle.net/10042/to-1635
Other Identifiers: InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1
Appears in Collections:Computational Experiment Data

Files in This Item:

File Description SizeFormat
mets.xml10KbDSpace METS SIPView/Open
archive-cml-1.xml5KbCMLView/Open
description.txt0KbTextView/Open
project.txt0KbTextView/Open
wavefunction.wfn0KbUnknownView/Open
smiles.txt0KbSMILESView/Open
inchi.txt0KbInChiView/Open
cml.xml3KbCMLView/Open
checkpoint.fchk2516KbGaussian Checkpoint View/Open
logfile.out44KbGaussian Log file View/Open
input.gjf1KbGaussian Input View/Open

 

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