Unused files
The following files exist but are not embedded in any page. Please note that other websites may link to a file with a direct URL, and so may still be listed here despite being in active use.
Showing below up to 50 results in range #3,801 to #3,850.
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Smallcycle orbital gdv.log ; 603 KB
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Smallcycle orbital casscf gdv.log ; 608 KB
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Smallcycle groundstate opt gdv.log ; 2.55 MB
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Smallcycle FC.gjf ; 229 bytes
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Smallcycle FC.log ; 88 KB
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Smallcycle s1 min.gjf ; 236 bytes
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Smallcycle s1 min.log ; 659 KB
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Smallcycle s1 conical.gjf ; 2 KB
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Smallcycle s1 conical 1.log ; 2.31 MB
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Smallcycle s1 conical 2.log ; 1.6 MB
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Peticyclo s1 opt.jpg 365 × 245; 14 KB
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Peticyclo conic opt.jpg 420 × 271; 16 KB
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Mpirun.sh ; 559 bytes
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Runcpmd md.sh ; 1,001 bytes
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Picture 10.png 443 × 438; 67 KB
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Bmim longts etot 58ps.png 565 × 507; 17 KB
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BmimCl press 58ps.png 573 × 514; 20 KB
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Cluster structure.png 610 × 346; 30 KB
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Input 2.png 547 × 405; 58 KB
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Cyclopropane optimisation.gjf ; 806 bytes
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Water1.jpg 1,599 × 945; 35 KB
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Water2.jpg 1,599 × 876; 57 KB
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DATA SHEET example test1.doc ; 35 KB
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Photo1.gif 255 × 163; 2 KB
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ERROR.gjf ; 135 KB
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Imaginary.gjf ; 134 KB
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BBrdf.png 566 × 510; 18 KB
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Press.png 579 × 521; 19 KB
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Nve BBrdf.png 574 × 504; 18 KB
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Nve N1N1rdf.png 589 × 521; 19 KB
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MSD Panel.png 234 × 275; 23 KB
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MSD window.png 360 × 198; 23 KB
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Gfp last test.xls ; 10 KB
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1 activespace.fchk ; 311 KB
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W63cl-wannier centre.jpg ; 4.49 MB
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Taylor.gif 686 × 301; 5 KB
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Raw.gjf ; 3 KB
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0 raw.gjf ; 3 KB
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1 charges.gjf ; 3 KB
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2optfreq.fchk ; 276 KB
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2optfreq.gjf ; 276 KB
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Highlevel.gjf ; 3 KB
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Groups2009.pdf ; 73 KB
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Tasimelteon.jpg 246 × 123; 10 KB
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--Endo Isomer.jpg-- 210 × 138; 11 KB
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Product5and7.gif 502 × 242; 6 KB
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