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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	//m06l_molsimps Fe_3a1_20//m06l_molsimps/Fe_3a1_20 OOH//m06l_molsimps/Fe_3a1_20/OOH HS Fe_3a1_20_OOH_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1777.56077; Eh
	25-Feb-2021	//m06l_molsimps Fe_41a_2_//m06l_molsimps/Fe_41a_2_ OH//m06l_molsimps/Fe_41a_2_/OH LS Fe_41a_2_OH_LS-cartesianm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1589.6143436; Eh
	25-Feb-2021	//m06l_molsimps Fe_41a_2_//m06l_molsimps/Fe_41a_2_ OOH//m06l_molsimps/Fe_41a_2_/OOH LS Fe_41a_2_OOH_LSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1664.7504117; Eh
	25-Feb-2021	//m06l_molsimps Fe_41a_2_//m06l_molsimps/Fe_41a_2_ VAC//m06l_molsimps/Fe_41a_2_/VAC HS Fe_41a_2_VAC_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1513.7848657; Eh
	25-Feb-2021	//m06l_molsimps Ru_32a_31//m06l_molsimps/Ru_32a_31 OH//m06l_molsimps/Ru_32a_31/OH LS Ru_32a_31_OH_LSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1439.4282511; Eh
	25-Feb-2021	//m06l_molsimps Cr_3a1_20//m06l_molsimps/Cr_3a1_20 OOH//m06l_molsimps/Cr_3a1_20/OOH HS Cr_3a1_20_OOH_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1740.4775401; Eh
	25-Feb-2021	//m06l_molsimps Cr_3a1_20//m06l_molsimps/Cr_3a1_20 OH//m06l_molsimps/Cr_3a1_20/OH HS Cr_3a1_20_OH_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1665.3439861; Eh
	25-Feb-2021	//m06l_molsimps Cr_3a1_20//m06l_molsimps/Cr_3a1_20 VAC//m06l_molsimps/Cr_3a1_20/VAC HS Cr_3a1_20_VAC_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1589.4758875; Eh
	25-Feb-2021	//m06l_molsimps Fe_3a1_20//m06l_molsimps/Fe_3a1_20 OH//m06l_molsimps/Fe_3a1_20/OH HS Fe_3a1_20_OH_HSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1702.4294291; Eh
	25-Feb-2021	//m06l_molsimps Ru_32a_31//m06l_molsimps/Ru_32a_31 OOH//m06l_molsimps/Ru_32a_31/OOH LS Ru_32a_31_OOH_LSm06l	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UM06L	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1514.5606982; Eh

Results 2241-2250 of 8124 (Search time: 0.005 seconds).