Unused files

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Showing below up to 50 results in range #1,501 to #1,550.

Jp806acismopt2.mol ; 3 KB
Jp806transtmopt2.gjf ; 6 KB
Jp806acismoopt1.mol ; 3 KB
Jp806transtmopt1.mol ; 3 KB
Jp806ammoniad3vib4.jpg 316 × 232; 12 KB
Jp806acisopt1.mol ; 3 KB
AJW anti2 DFTpicture.JPG 430 × 354; 15 KB
AJW anti2 DFTopt mol.mol ; 2 KB
HEXA REACT GAUCHE2.mol ; 2 KB
HEXA REACT GAUCHE3.mol ; 2 KB
Mod3 part3 ex3 reaction.JPG 703 × 208; 15 KB
Exo opt2.mol ; 2 KB
HEXA REACT ANTI2 b3lyp.mol ; 2 KB
Allyl opt.gjf ; 1 KB
ALLYL OPT.mol ; 819 bytes
Boat highopt.mol ; 2 KB
Chair highopt.mol ; 2 KB
Cis lowopt.mol ; 3 KB
Endo highopt.mol ; 2 KB
Exo highopt.mol ; 2 KB
Projss lowopt.mol ; 4 KB
Trans lowopt.mol ; 3 KB
Version1 highopt.mol ; 2 KB
TS cisbutadiene.mol ; 1 KB
TS cisbutadiene labelled.mol ; 1 KB
Example.ogg ; 699 bytes
Chair ts guess1 QST2.mol ; 2 KB
TSmeasurements.JPG 734 × 554; 26 KB
Arun tut gauche 2.jpg 472 × 185; 47 KB
SIMON 1 5 HEXADIENE ANTI2 DFT 6-31G D OPT FREQ.mol ; 2 KB
SIMON 1 5 HEXADIENE ANTI2 HF 3-21G OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE ANTI DFT 6-31G D OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE ANTI HF 3-21G OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE GAUCHE2 DFT 6-31G D OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE GAUCHE2 HF 3-21G OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE GAUCHE DFT 6-31G D OPT.mol ; 2 KB
SIMON 1 5 HEXADIENE GAUCHE HF 3-21G OPT.mol ; 2 KB
Energyprofilesafr.JPG 617 × 424; 21 KB
Arun CHAIR TS.mol ; 1 KB
Arun BOAT TS.mol ; 1 KB
TS ethene butadiene.mol ; 1 KB
BOAT TS GUESS1 QST2.mol ; 2 KB
Spectrum.jpg 1,067 × 854; 507 KB
Chairoptnoeigen.jpg 422 × 308; 36 KB
Chairoptnoeigen1.jpg 423 × 308; 31 KB
Chairoptmodredundant.jpg 423 × 309; 31 KB
HOMO butadiene.JPG 455 × 425; 17 KB
Endostabafr.gif 254 × 243; 5 KB
MAendo berny.GIF 1,288 × 1,002; 36 KB
Transtion state imaginary freq.jpg 422 × 277; 36 KB