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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	//b3lyp_molsimps Ru_oct_desorbed_6_//b3lyp_molsimps/Ru_oct_desorbed_6_ OOH//b3lyp_molsimps/Ru_oct_desorbed_6_/OOH LS Ru_oct_desorbed_6_OOH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1612.950107; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_oct_desorbed_5_//b3lyp_molsimps/Ru_oct_desorbed_5_ OOH//b3lyp_molsimps/Ru_oct_desorbed_5_/OOH LS Ru_oct_desorbed_5_OOH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1766.5940952; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_oct_desorbed_4_//b3lyp_molsimps/Ru_oct_desorbed_4_ OOH//b3lyp_molsimps/Ru_oct_desorbed_4_/OOH LS Ru_oct_desorbed_4_OOH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1920.2411982; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_oct_desorbed_2_//b3lyp_molsimps/Ru_oct_desorbed_2_ OOH//b3lyp_molsimps/Ru_oct_desorbed_2_/OOH LS Ru_oct_desorbed_2_OOH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1936.247493; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_oct_desorbed_1_//b3lyp_molsimps/Ru_oct_desorbed_1_ OH//b3lyp_molsimps/Ru_oct_desorbed_1_/OH LS Ru_oct_desorbed_1_OH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1877.1216832; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_41a_3_//b3lyp_molsimps/Ru_41a_3_ OH//b3lyp_molsimps/Ru_41a_3_/OH LS Ru_41a_3_OH_LS-cartesianb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1406.5118591; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_3a1_4_//b3lyp_molsimps/Ru_3a1_4_ OH//b3lyp_molsimps/Ru_3a1_4_/OH LS Ru_3a1_4_OH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1715.9459551; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_3a1_28//b3lyp_molsimps/Ru_3a1_28 OH//b3lyp_molsimps/Ru_3a1_28/OH LS Ru_3a1_28_OH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1597.9999831; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_3a1_27//b3lyp_molsimps/Ru_3a1_27 OOH//b3lyp_molsimps/Ru_3a1_27/OOH LS Ru_3a1_27_OOH_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1535.5012906; Eh
	25-Feb-2021	//b3lyp_molsimps Ru_3a1_27//b3lyp_molsimps/Ru_3a1_27 VAC//b3lyp_molsimps/Ru_3a1_27/VAC LS Ru_3a1_27_VAC_LSb3lyp	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1384.5277825; Eh

Results 51-60 of 345 (Search time: 0.002 seconds).