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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Sep-2021	SCO_M06L_S8_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UM06L	DEF2TZVP	-2790.94233780; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S1_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3145.97127236; Eh
	27-Sep-2021	SCO_TPSSh_S18_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP	-2832.38207813; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S18_LS_OLD	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2819.02875522; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S18_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2819.07646446; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S18_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UBLYP	DEF2TZVP	-2819.06653376; Eh
	27-Sep-2021	SCO_OPBE_S2_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-4399.37481623; Eh
	27-Sep-2021	SCO_OPBE_S2_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-4399.37790563; Eh
	27-Sep-2021	SCO_OPBE_S1_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-3158.03954637; Eh
	27-Sep-2021	SCO_OPBE_S1_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-3158.03222164; Eh

Results 351-360 of 417 (Search time: 0.002 seconds).