C 10 H 13 N 5 O 7 P 1 -1

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C 10 H 13 N 5 O 7 P 1 -1

dc.contributor Henry S Rzepa
dc.date.accessioned 2011-01-01T18:33:05Z
dc.date.available 2011-01-01T18:33:05Z
dc.date.issued 2011-01-01T18:33:05Z
dc.identifier InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
dc.identifier InChIKey=QQMSZHORHNORLP-KVQBGUIXSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-6359
dc.identifier.uri http://dx.doi.org/10.14469/ch/6334
dc.description.uri DNA
dc.description.uri B DNA monomer
dc.format.extent 2253 bytes
dc.format.extent 313255 bytes
dc.format.extent 3485034 bytes
dc.format.extent 4459 bytes
dc.format.extent 186 bytes
dc.format.extent 64 bytes
dc.format.extent 0 bytes
dc.format.extent 3 bytes
dc.format.extent 13 bytes
dc.format.extent 6959 bytes
dc.format.extent 10741 bytes
dc.format.mimetype chemical/x-gaussian-input
dc.format.mimetype chemical/x-gaussian-log
dc.format.mimetype chemical/x-gaussian-checkpoint
dc.format.mimetype chemical/x-cml
dc.format.mimetype chemical/x-inchi
dc.format.mimetype chemical/x-smiles
dc.format.mimetype application/octet-stream
dc.format.mimetype text/plain
dc.format.mimetype text/plain
dc.format.mimetype chemical/x-cml
dc.format.mimetype application/xml
dc.language.iso en_US
dc.publisher Imperial College London
dc.rights.uri Henry S Rzepa
dc.subject.ddc InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
dc.subject.ddc InChIKey=QQMSZHORHNORLP-KVQBGUIXSA-N
dc.subject.ddc OC[C@@H]1[C@H](C[C@@H](n2cnc3c(=O)[nH]c(nc23)N)O1)O[P@](=O)(O)O
dc.subject.ddc CX1-7-16-2
dc.subject.ddc SP
dc.subject.ddc RwB97XD
dc.subject.ddc 6-31G(d)
dc.subject.ddc nbo
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-A
dc.subject.ddc -1530.3360091
dc.subject.ddc 8.249e-09
dc.subject.ddc X(C10H13N5O7P1)
dc.title C 10 H 13 N 5 O 7 P 1 -1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 2.200Kb chemical/x-gaussian-input View/Open
logfile.out 305.9Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 3.323Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 4.354Kb chemical/x-cml View/Open
inchi.txt 186bytes chemical/x-inchi View/Open
smiles.txt 64bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 3bytes Text file View/Open
description.txt 13bytes Text file View/Open
archive-cml-1.xml 6.795Kb chemical/x-cml View/Open

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