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Showing below up to 50 results in range #3,401 to #3,450.

Hemal nh3 mp2 d3h.mol ; 462 bytes
14IRa.GIF 410 × 240; 18 KB
15IRa.GIF 483 × 256; 18 KB
Freeze coordinate.out ; 332 KB
CHAIR TS DERIVATIVE.LOG ; 289 KB
TSBERNY1.mol ; 2 KB
TSBERNY.out ; 293 KB
Freq LOG.LOG ; 293 KB
FREQ COMP.LOG ; 155 KB
FROZEN COORDS.out ; 55 KB
Boat ts1.jpg 475 × 218; 35 KB
Hemal nh3 d3h ir.gjf ; 463 bytes
Gauche1 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Gauche2 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Gauche3 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Gauche4 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Gauche5 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Gauche6 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Anti1 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Anti2 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Anti3 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
Anti4 1 5 hexadiene HF 321G opt mol.mol ; 2 KB
JFG NH3 MP2.LOG ; 57 KB
JFG NH3 MP2 D3H.LOG ; 42 KB
1,5-hexadiene with an anti linkage.mol ; 2 KB
Second log.LOG ; 265 KB
Log 14197.out ; 265 KB
Pt cl complex NH2.cdx ; 16 KB
Gauche1jmol.mol ; 2 KB
Gauche2jmol.mol ; 2 KB
Yun react gau4jmol.mol ; 2 KB
Hemal Pt comp opt 2 NH2.gjf ; 5 KB
Hemal Pt comp opt 2 NH2.out ; 1.69 MB
Hemal Pt comp opt 2 NH2.mol ; 3 KB
Hemal Pt comp opt 3 NH2.mol ; 3 KB
Hemal Pt comp opt 4 NH2.mol ; 3 KB
Hemal Pt comp opt 5 NH2.mol ; 3 KB
Gauche6jmol.mol ; 2 KB
Anti4jmol.mol ; 2 KB
Finished.mol ; 2 KB
Log 14218.LOG ; 763 KB
Anti1jmol.mol ; 2 KB
JFG NH3 C3V FREQ.LOG ; 24 KB
JFG NH3 B3LYP D3H FREQ.LOG ; 25 KB
Reactant antiff.mol ; 2 KB
Reactant gaucheff.mol ; 2 KB
Ci reactant.mol ; 2 KB
Ci reactant DFT.mol ; 2 KB
Frozen chair.mol ; 2 KB
Unfrozen chair.mol ; 2 KB