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 #4,201 to #4,250.

HBDI HF 6-31G(d).out ; 293 KB
TRYLOG.LOG ; 293 KB
HBDI B3LYP 6-311G+(d,p) FREQ.mol ; 3 KB
HBDI B3LYP 6-311G+(d,p) FREQ.out ; 290 KB
HBDI B3LYP 6-311G+(d,p) FREQ.log ; 290 KB
BCl3 FREQ test.log ; 29 KB
THCl bridge.mol ; 2 KB
HBDI B3LYP 6-311G+(d,p) FREQ.mol2 ; 2 KB
THC bridge sym.mol ; 2 KB
Anti2 compare.jpg 1,038 × 903; 42 KB
THBoth bridging.mol ; 2 KB
Tomfuller Mocisnewgeom opt.mol ; 2 KB
Tomfuller Motransnewgeom.mol ; 2 KB
Thermochemistry.jpg 639 × 233; 33 KB
THBoth bridge.gif 750 × 744; 59 KB
Cnlcis41.gif 181 × 158; 7 KB
Log 18510 optimised cis Mo(CO)4L2 SCAN.out ; 316 KB
Log 18503 optimised trans Mo(CO)4L2 SCAN.out ; 348 KB
Log 18522 log 18503 frequency trans Mo(CO)4L2 SCAN.out ; 94 KB
Log 18527 log 18522 log 18503 frequency cis Mo(CO)4L2 SCAN.out ; 94 KB
SJCryer MO 1.jpg 1,110 × 1,029; 35 KB
Yuko bcl3 opt.log ; 31 KB
Bcl3 opt.log ; 31 KB
Bcl3 freq.log ; 52 KB
Bh3 modiagram.gif 521 × 670; 17 KB
Bh3 modiagram2.gif 521 × 778; 42 KB
EjcBCl3.JPG 272 × 250; 5 KB
Tschair.mol ; 2 KB
EJCBH3MO2.jpg 252 × 211; 6 KB
Cis freq1762.gif 406 × 240; 327 KB
Cisplatin MO.mol ; 1 KB
Bh3 pop.log ; 32 KB
Jlinorgfruir.jpg 1,280 × 1,000; 96 KB
Log 18809 si cl optimised 3.out ; 89 KB
Log 18832 Si Br optimised 3.out ; 299 KB
TSberny.mol ; 2 KB
Log 19069 Si F optimised 3.out ; 78 KB
Rdncoord.mol ; 2 KB
BoatQST2.mol ; 2 KB
LinorcpMO.jpg 353 × 276; 16 KB
Albrme nbo analysis.jpg 1,716 × 1,707; 171 KB
Silane MO2.JPG 846 × 744; 70 KB
Jamie BH3 vibrations table.JPG 460 × 693; 35 KB
Si MO.chk ; 524 KB
Cisplatin stretch.JPG 299 × 273; 5 KB
Transplatin stretch.JPG 299 × 273; 6 KB
BH3MO diagram.gif 664 × 694; 21 KB
SiH freq.out ; 69 KB
Jamie chloro grignard NBO.jpg 1,716 × 1,632; 192 KB
Jamie methyl grignard NBO.jpg 1,716 × 1,653; 206 KB