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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 Ni_3a1_16//m06l_molsimps/Ni_3a1_16 OH//m06l_molsimps/Ni_3a1_16/OH LS Ni_3a1_16_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	-1922.5511237; Eh
	25-Feb-2021	//m06l_molsimps Ni_3a1_19//m06l_molsimps/Ni_3a1_19 OH//m06l_molsimps/Ni_3a1_19/OH LS Ni_3a1_19_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	-1764.2664621; Eh
	25-Feb-2021	//m06l_molsimps Ru_31a_15//m06l_molsimps/Ru_31a_15 OH//m06l_molsimps/Ru_31a_15/OH LS Ru_31a_15_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	-1709.5320465; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 trans-stilbene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-540.260654224; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 2-Isopropoxy-5-nitrostyrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-706.832155113; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 ethylene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-78.5076657138; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M1	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-924.620247442; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 styrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-309.384009805; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M3	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-756.234215504; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M2	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-947.817443449; Eh

Results 2281-2290 of 8123 (Search time: 0.004 seconds).