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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Aug-2022	nob-pd-dmso	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2284.83253921; Eh
	8-Aug-2022	val-TS-DS	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.16706162; Eh
	8-Aug-2022	val-TS-DR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.17913741; Eh
	8-Aug-2022	nob-TS-DR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2719.54781813; Eh
	8-Aug-2022	val-TS-UR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.15874570; Eh

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