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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 Ru_oct_desorbed_4_//m06l_molsimps/Ru_oct_desorbed_4_ OOH//m06l_molsimps/Ru_oct_desorbed_4_/OOH LS Ru_oct_desorbed_4_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	-1920.0909442; Eh
	25-Feb-2021	//m06l_molsimps Ru_oct_desorbed_4_//m06l_molsimps/Ru_oct_desorbed_4_ OH//m06l_molsimps/Ru_oct_desorbed_4_/OH LS Ru_oct_desorbed_4_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	-1844.9575686; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_16//m06l_molsimps/Ru_3a1_16 OOH//m06l_molsimps/Ru_3a1_16/OOH LS Ru_3a1_16_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	-1922.2812941; Eh
	25-Feb-2021	//m06l_molsimps Ni_31a_2_//m06l_molsimps/Ni_31a_2_ VAC//m06l_molsimps/Ni_31a_2_/VAC HS Ni_31a_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	-1731.4266653; Eh
	25-Feb-2021	//m06l_molsimps Ni_31a_2_//m06l_molsimps/Ni_31a_2_ OH//m06l_molsimps/Ni_31a_2_/OH LS Ni_31a_2_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	-1807.2141985; Eh
	25-Feb-2021	//m06l_molsimps Ru_oct_desorbed_4_ Ru_pbp_4_VAC_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	-1769.1441678; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_28//m06l_molsimps/Ru_3a1_28 OOH//m06l_molsimps/Ru_3a1_28/OOH LS Ru_3a1_28_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	-1673.0046071; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_28//m06l_molsimps/Ru_3a1_28 VAC//m06l_molsimps/Ru_3a1_28/VAC LS Ru_3a1_28_VAC_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	-1522.0372855; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_16//m06l_molsimps/Ru_3a1_16 VAC//m06l_molsimps/Ru_3a1_16/VAC LS Ru_3a1_16_VAC_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	-1771.3111145; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_28//m06l_molsimps/Ru_3a1_28 OH//m06l_molsimps/Ru_3a1_28/OH LS Ru_3a1_28_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	-1597.8728917; Eh

Results 2281-2290 of 7763 (Search time: 0.005 seconds).