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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2025	TSA3-5_Ph_SP	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1548.1052666; Eh
	20-May-2025	TSA3-5_Ph	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G* SDD GENECP*	-1263.43431784; Eh
	20-May-2025	TSA3-5_Me	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G* SDD GENECP*	-688.193251673; Eh
	20-May-2025	TSA3-5_Me_SP	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-972.6791055; Eh
	11-Apr-2025	TS1R	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVDZ LANL2DZ GEN	-19693.9033975; Eh
	11-Apr-2025	TS1R_-_H	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVDZ LANL2DZ GEN	-18733.0318081; Eh
	11-Apr-2025	C	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ LANL2DZ GEN	-4878.55211344; Eh
	11-Apr-2025	TS2	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVDZ LANL2DZ GEN	-4878.53306831; Eh
	11-Apr-2025	D	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ LANL2DZ GEN	-4878.65152673; Eh
	11-Apr-2025	C_first	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-3745.23623229; Eh

Results 441-450 of 12354 (Search time: 0.003 seconds).