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Showing below up to 50 results in range #7,151 to #7,200.
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Llama336.JPG 601 × 571; 22 KB
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Boat TS opt freq hf.mol ; 1 KB
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Ejc107chairts631mol.mol ; 2 KB
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Ejc107boatts631mol.mol ; 2 KB
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Hexadiene anti 1 opt.mol ; 2 KB
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Hexadiene anti 3 opt.mol ; 2 KB
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Hexadiene anti 4 opt.mol ; 2 KB
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Hexadiene gauche opt 1.mol ; 2 KB
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Hexadiene gauche opt 2.mol ; 2 KB
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Hexadiene gauche opt 3.mol ; 2 KB
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Hexadiene gauche opt 4.mol ; 2 KB
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Hexadiene gauche opt 5.mol ; 2 KB
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Hexadiene gauche opt 6.mol ; 2 KB
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REACT GAUCHE 1.LOG ; 188 KB
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REACT GAUCHE 2.LOG ; 240 KB
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REACT GAUCHE 3.LOG ; 171 KB
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REACT GAUCHE 4.LOG ; 156 KB
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REACT GAUCHE 5.LOG ; 172 KB
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REACT GAUCHE 6.LOG ; 188 KB
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Mjc07 chairvib.mol ; 2 KB
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REACT ANTI 1.LOG ; 172 KB
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REACT ANTI 2.LOG ; 137 KB
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REACT ANTI 3.LOG ; 187 KB
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REACT ANTI 4.LOG ; 139 KB
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REACT ANTI 2 6-31G(D).LOG ; 144 KB
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REACT ANTI 2 6-31G(D) FREQ.LOG ; 80 KB
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CHAIR TS OPT REDUNDANT PART 1.LOG ; 175 KB
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CHAIR TS OPT REDUNDANT PART 2.LOG ; 192 KB
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BOAT TS OPT FREQ QST2.LOG ; 430 KB
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BOAT TS OPT FREQ QST2 MOD.LOG ; 868 KB
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BOAT TS OPT FREQ QST2 - 2.LOG ; 756 KB
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REACT ANTI 2 3-21G FREQ.LOG ; 144 KB
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Chair trans 1.txt ; 453 KB
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Chair trans from frozen coord.txt ; 298 KB
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BOAT shouldfail.txt ; 335 KB
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BOAT success.txt ; 723 KB
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LlamaAnti 2 mol.mol ; 2 KB
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LlamaANTI 3 mol.mol ; 2 KB
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LlamaANTI 4 mol.mol ; 2 KB
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LlamaGauch 3 mol.mol ; 2 KB
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LlamaGauch 4 mol.mol ; 2 KB
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Chair TS .mol ; 2 KB
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LlamaGAUCHE1 mol.mol ; 2 KB
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Anti 1 Opt.txt ; 170 KB
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Anti 2 DFT freq.txt ; 89 KB
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Anti 2 DFT Opt.txt ; 93 KB