Rep:Title=Mod:CJS test
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Item Value Threshold Converged?
Maximum Force 0.000323 0.000450 YES
RMS Force 0.000153 0.000300 YES
Maximum Displacement 0.001116 0.001800 YES
RMS Displacement 0.000922 0.001200 YES
DOI Link[1]
Some test writing
some more text[1]
A link to an uploaded .mol file
Pentahelicene |
Vibration |
Orbital |
- ↑ 1.0 1.1 W. T. Klooster , T. F. Koetzle , P. E. M. Siegbahn , T. B. Richardson , and R. H. Crabtree, "Study of the N-H···H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction", J. Am. Chem. Soc., 1999, 121, 6337–6343.DOI:10.1021/ja9825332