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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_TPSSh_S16_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-2642.55475765; Eh
	27-Sep-2021	SCO_TPSSh_S16_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-2642.57237271; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S2_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-4399.40110196; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S2_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-4399.42758027; 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_B3LYPSTAR_S1_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3145.97752295; 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_S3_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2852.88717034; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S3_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UBLYP	DEF2TZVP	-2852.89971016; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S7_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-5100.70158600; Eh

Results 41-50 of 240 (Search time: 0.001 seconds).