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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Mar-2025	/MechanismA_Bromide I2	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2200.62897052; Eh
	20-Mar-2025	/MechanismA_Bromide I1	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2022.50781996; Eh
	20-Mar-2025	/MechanismB_Bromide I7	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1802.73319223; Eh
	20-Mar-2025	/MechanismA_Bromide Bpin-OtBu	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-644.253348215; Eh
	20-Mar-2025	/MechanismA_Bromide B2pin2	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-822.347146678; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-int1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.88723136; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-int3o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.90672177; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-triplet-TS1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3606.90096380; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-triplet-INT1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.94058522; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-TS3o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.94136830; Eh

Results 1471-1480 of 2579 (Search time: 0.001 seconds).