---------------------- --GRRM-GDSP-- ---------[ HELP ]


		Atom	Cmpnd		EQ	TS		Calc.Level
		  3	H2O		1	1		B3LYP/6-31G*
		  3	HCN		3	2		B3LYP/6-31G*	
		  3	CO2		3	3		B3LYP/6-31G	
		  3	CS2		3	2		B3LYP/6-31G*	
		  4	H2CO		5	9		B3LYP/6-31G	
		  4	H2CO		4	12		B3LYP/6-31G*	
		  4	H2CS		4	10		B3LYP/6-31G*	
		  4	HCNO		9	22		B3LYP/6-31G*	
		  4	HCNS		4	10		B3LYP/6-31G*	
		  4	HCOCu		16	27		B3LYP/6-31G	
		  4	H2O2		2	4		B3LYP/6-31G*	
		  4	H2S2		2	5		B3LYP/6-31G*	
		  5	CAlSiPS	89	326		B3LYP/6-31G*	
		  5	BCNOS		122	430		B3LYP/6-31G*	
		  5	H2CO2		13	40		B3LYP/6-31G*	
		  5	H2CS2		15	55		B3LYP/6-31G*	
		  5	H2C2O		14	41		B3LYP/6-31G*	
		  5	H2C2S		13	41		B3LYP/6-31G*	
		  6	H4CO		1	4		RHF/6-31+G*	
		  6	H4C2		2	8		RHF/6-31+G*	
		  6	H3C2N		17	69		B3LYP/6-31G*	
		  6	H3CNO		29	160		RHF/6-31+G*	
		  6	H3CNO		30	174		B3LYP/6-31G*	
		  7	H4C2O		17	110		RHF/6-31+G*	
		  7	H4C3		7	31		B3LYP/6-31G*	
		  8	H4C2O2	114	776		B3LYP/6-31G*	
		  8	H4C2O2	90	684		RHF/6-31+G*	
		  9	H6C2O		4	35		RHF/6-31+G*	
		 10	H6C3O		79	688		RHF/6-31+G*	







		********************** GRRM-GDSP *****************************


		GRRM-GDSP displays chemical structures and reaction channels 
		explored by the GRRM program [1-3].

		For JMOL representation, Java should be installed.

		Active contents need to be allowed on the Web browser.

		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.


                [ Top of this page ]