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Atom Cmpnd EQ TS Calc.Level
5 H2CO2 14 46 B3LYP/6-31G(D)
5 BCNOS 123 441 B3LYP/6-31G(D)
8 H4C2O2 118 782 B3LYP/6-31G(D)
8 H3CNO3 676 5181 B3LYP/6-31G(D)
24 H12C6O6 304 434 B3LYP/6-311++G(D,P)
GRRM-GDSP is a tool for visualizing results of the GRRM program
The new version of GRRM-GDSP 02 (2017.06.05 revised) can be downloaded from the following Link.
GuideBook of GRRRM-GDSP(in Japanese)(PDF) (679 KB)
GRRM-GDSP Package(Zip) (812 KB)
********************** GRRM-GDSP Version-02 ****************************
GRRM-GDSP displays chemical structures and reaction channels
explored by the GRRM program [1-3].
JMOL is not required for version-02.
Equilibrium structures (EQ) are numbered as EQ0, EQ1, EQ2,
from the lowest energy.
Downward Dissociation Channels (DDC) via transition states (TS)
and Upward Dissociation Channels (UDC)are listed.
Click [EQn], [TSn], [DDCn], [UDCn] to show JMOL pictures.
Click Link to jump to the respective structure.
Click the mid point between TSs and ] to start animation.
Clic [o] in front of Links to open restpective pictures.
The following references [1-3] should be cited when publishing
results obtained by the GRRM program.
[1] Koichi Ohno and Satoshi Maeda, Chem. Phys. Lett. 384(2004)277-282.
[2] Satoshi Maeda and Koichi Ohno, J.Phys.Chem.A 109(2005)5742-5753.
[3] Koichi Ohno and Satoshi Maeda, J.Phys.Chem.A 110(2006)8933-8941.
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