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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_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
	4-Oct-2021	/dnppe_system C-D-TS-dnppe_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5295523; Eh
	4-Oct-2021	/dnppe_system C-D-TS-dnppe_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5153525; Eh
	4-Oct-2021	/dnppe_system D-dnppe_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5291114; Eh
	4-Oct-2021	/dnppe_system D-dnppe_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5307747; Eh
	4-Oct-2021	/dnppe_system B-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-3978.6451592; Eh
	4-Oct-2021	/dnppe_system C-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4221.5454238; Eh
	4-Oct-2021	/dnppe_system A-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-3978.6809412; Eh
	4-Oct-2021	/P2BMe24_system D-P2BMe24_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.833876; Eh
	4-Oct-2021	/P2BMe24_system D-P2BMe24_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.833926; Eh

Results 1061-1070 of 1523 (Search time: 0.003 seconds).