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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2021	Fe_3a1_7_oxoLS_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1794.90015171; Eh
	27-Aug-2021	Fe_3a1_6_oxoLS_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1437.61531384; Eh
	27-Aug-2021	Fe_3a1_7_OH_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1795.55671733; Eh
	27-Aug-2021	Fe_3a1_7_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1795.54673327; Eh
	27-Aug-2021	Fe_3a1_6_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1438.25795951; Eh
	27-Aug-2021	Fe_3a1_6_OH_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1438.24589076; Eh
	27-Sep-2021	SCO_TPSSh_S12_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4077.69180373; Eh
	27-Sep-2021	SCO_TPSSh_S11_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-8013.44778321; Eh
	27-Sep-2021	SCO_TPSSh_S11_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-8013.42650283; Eh
	27-Sep-2021	SCO_TPSSh_S10_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2719.19680050; Eh

Results 861-870 of 874 (Search time: 0.002 seconds).