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Showing below up to 50 results in range #3,501 to #3,550.

OptimizedTSHessianB3LYP.fchk ; 338 KB
AM1 TS.chk ; 6.53 MB
EndoMO.fchk ; 1.16 MB
ExoMO.fchk ; 1.16 MB
HF for JMOL.mol ; 1 KB
DFT for JMOL.mol ; 1 KB
Jfg FB.mol ; 1 KB
JBAN CHAIR TS GUESS OPTFREQ.LOG ; 410 KB
C3H5 RS 321G OPT.jpg 749 × 285; 82 KB
C3H5 RS 321G OPT RS.jpg 741 × 282; 86 KB
Cope rearrangement HF.jpg 248 × 232; 25 KB
YUN C3H5 OPT FREQ REDUNDANT2 RS.jpg 746 × 283; 87 KB
YUN C3H5 OPT FREQ REDUNDANT RS.jpg 746 × 284; 91 KB
Chair HF jmol.mol ; 2 KB
CHAIR TS GUESS HFJMOL.mol ; 2 KB
YUN C3H5 OPT FREQ REDUNDANT2 JMOL.mol ; 2 KB
FREEZE1.LOG ; 263 KB
FREEZE FINAL.LOG ; 371 KB
DATS.JPG 294 × 271; 6 KB
Chair derivative HF 321G opt Jmol.mol ; 2 KB
Chair derivative DFT 631G opt Jmol.mol ; 2 KB
DATSkeyvib.JPG 265 × 274; 7 KB
Datrans.JPG 296 × 265; 7 KB
Datranssum.JPG 291 × 200; 14 KB
QST2 jmol.mol ; 2 KB
Boat QST2 B3LYP 631Gd opt freq Jmol.mol ; 2 KB
BOAT QST2 HF 321G OPT CRT Jmol.mol ; 2 KB
Isomer 400.gif 245 × 176; 16 KB
Isomer500.gif 245 × 176; 16 KB
Zain500.mol ; 2 KB
Zain500.mol.mol ; 2 KB
Chair derivative HF 321G IRC Jmol.mol ; 2 KB
Chair derivative IRC51 HF 321G opt Jmol.mol ; 2 KB
Chair derivatve IRC51 HF 321G IRCalways50 Jmol.mol ; 2 KB
Chair derivatve IRC51 HF 321G IRConce100 Jmol.mol ; 2 KB
Endoformsumm.JPG 296 × 205; 12 KB
Exoformsumm.JPG 295 × 202; 13 KB
TS MO.LOG ; 396 KB
Ts guess.out ; 509 KB
Ts guess.log ; 517 KB
Ts freq.jpg 262 × 209; 32 KB
Ts freq1.jpg 308 × 264; 20 KB
Cii.mol ; 2 KB
Ci22.mol ; 2 KB
Jfg HEXADIENE ANTI1.LOG ; 170 KB
Jfg HEXADIENE GAUCHE1.LOG ; 202 KB
Mechanismzm.gif 322 × 103; 3 KB
Ethenelumo.gif 64 × 86; 16 KB
Transzainn.mol ; 2 KB
F3Endo homo.jpg 291 × 289; 42 KB