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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	//m06l_molsimps Ru_32a_31//m06l_molsimps/Ru_32a_31 VAC//m06l_molsimps/Ru_32a_31/VAC LS Ru_32a_31_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	-1363.6109715; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M33	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91535337; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M31	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2056.74014431; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M32	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91480439; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M36	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-1888.41255739; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_27//m06l_molsimps/Ru_3a1_27 OOH//m06l_molsimps/Ru_3a1_27/OOH LS Ru_3a1_27_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	-1535.3837777; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_27//m06l_molsimps/Ru_3a1_27 VAC//m06l_molsimps/Ru_3a1_27/VAC LS Ru_3a1_27_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	-1384.421436; Eh
	25-Feb-2021	//m06l_molsimps Ru_3a1_27//m06l_molsimps/Ru_3a1_27 OH//m06l_molsimps/Ru_3a1_27/OH LS Ru_3a1_27_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	-1460.2549074; Eh
	25-Feb-2021	//m06l_molsimps Ru_31a_13//m06l_molsimps/Ru_31a_13 VAC//m06l_molsimps/Ru_31a_13/VAC LS Ru_31a_13_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	-1803.3471485; Eh
	25-Feb-2021	//m06l_molsimps Ru_31a_13//m06l_molsimps/Ru_31a_13 OOH//m06l_molsimps/Ru_31a_13/OOH LS Ru_31a_13_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	-1954.307405; Eh

Results 2251-2260 of 8124 (Search time: 0.004 seconds).