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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Jul-2025	TS(I-V)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.09294029; Eh
	3-Jul-2025	TS(I-II)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.08011204; Eh
	3-Jul-2025	S8-NHC-B3LYP	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.69530982; Eh
	3-Jul-2025	S10-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.15372317; Eh
	3-Jul-2025	S2-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.10742787; Eh
	3-Jul-2025	VI-P-B3LYP	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.40122480; Eh
	3-Jul-2025	TS(II-III)-NHC-B3LYP	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.63372486; Eh
	3-Jul-2025	TS(S6-VI)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.10905094; Eh
	3-Jul-2025	TS(II-S5)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.09748930; Eh
	3-Jul-2025	TS(I-S1)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.06835376; Eh

Results 93141-93150 of 94150 (Search time: 0.052 seconds).