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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Sep-2026	TX_triplet_noneq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.6453602; Eh
	15-Sep-2026	TX_triplet	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-973.652788974; Eh
	15-Sep-2026	TX_triplet_eq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.652789; Eh
	15-Sep-2026	alkene	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-795.904840382; Eh
	15-Sep-2026	TX	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-973.752178769; 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	TS1S	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVDZ LANL2DZ GEN	-19693.9071697; 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	TS1S-H	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVDZ LANL2DZ GEN	-18733.030828; Eh
	11-Apr-2025	C	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ LANL2DZ GEN	-4878.55211344; Eh

Results 11961-11970 of 12948 (Search time: 0.009 seconds).