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Protein Structures | Queensland Center of Moelcular Genetics
https://www.qcmg.org/blog/espanol-40/protein-structures-7
qcmg.org
8 2 112
http://www.ccl.net/chemistry/links/software/index.shtml
http://www.ccl.net/chemistry/links/software/index.shtml
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Azobenzene « Henry Rzepa's blog
http://www.rzepa.net/blog?tag=azobenzene
rzepa.net
7 1 178
an answer
http://www.ccl.net/cgi-bin/ccl/day-index.cgi?2015 12 20
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Azobenzene « Henry Rzepa's blog
http://www.rzepa.net/blog?tag=azobenzene
rzepa.net
7 1 178
CCL
http://www.ccl.net/
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Azobenzene « Henry Rzepa's blog
http://www.rzepa.net/blog?tag=azobenzene
rzepa.net
7 1 178
posted
http://www.ccl.net/cgi-bin/ccl/message-new?2015 12 19 002
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=2&casno=7440371&method=5
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=32&method=59
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=32&casno=13774942&method=2
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
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cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=7&method=25
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=5&method=44
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=2612626&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=6&casno=13863597&method=61
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=15&casno=7440019&method=1
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=18&method=56
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=9&method=6
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=5&method=69
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=35&method=12
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
https://cccbdb.nist.gov/badvib2x.asp?basis=4&method=65
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
https://cccbdb.nist.gov/badvib2x.asp?basis=17&method=16
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=2&method=60
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=21&casno=12211006&method=11
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=75183&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
https://cccbdb.nist.gov/badvib2x.asp?basis=32&method=15
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=24&casno=12401740&method=1
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=8&method=6
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=5714227&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=3&casno=2932787&method=8
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=8&casno=6829523&method=8
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=2&casno=2564865&method=2
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=1&method=8
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=38&method=61
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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mysetup.txt
https://server.ccl.net/cca/software/UNIX/netfilter/mysetup.shtml
server.ccl.net
39 3 90
(no anchor)
http://www.ccl.net/cca/software/UNIX//netfilter
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=25617974&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=38&method=63
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
https://cccbdb.nist.gov/badvib2x.asp?basis=24&method=44
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Experimental bond angles for three given atoms
https://cccbdb.nist.gov/expangle1ax.asp?descript=aCCH
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=6&casno=6829523&method=11
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=50689173&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=19&casno=1333740&method=11
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=32&casno=6829523&method=90
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Experimental bond angles for three given atoms
https://cccbdb.nist.gov/expangle1ax.asp?descript=aCNO
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bad vibrational frequency prediction
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Ionization Energies page 3
https://cccbdb.nist.gov/ie3x.asp?basis=9&casno=6829523&method=3
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=7&method=14
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=32&method=58
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=13770406&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=7440440&charge=-1
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB bond length model
https://cccbdb.nist.gov/bondlengthmodel2x.asp?basis=26&method=8
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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CCCBDB Compare core correlation versus no core correlation
https://cccbdb.nist.gov/coreenergy2x.asp?casno=50614034&charge=0
cccbdb.nist.gov
67 19 11
Computational Chemistry List
http://www.ccl.net/chemistry
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