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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Dec-2025	TS1-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP GEN	-1991.46090899; Eh
	20-Mar-2025	/MechanismA_Iodide I5-I	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3771.19928128; Eh
	20-Mar-2025	/MechanismA_Iodide I4-I	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3045.16288528; Eh
	20-Mar-2025	/MechanismA_Bromide TS1	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3046.89662532; Eh
	13-May-2025	product_methane_amination	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-406.138950282; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_2_trip	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.34656457; Eh
	20-Mar-2025	/MechanismA_Bromide TS3	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3266.67991206; Eh
	20-Mar-2025	/MechanismA_Bromide 24Me	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1244.24144397; Eh
	29-Oct-2025	/SF/SF_opt ts_f_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-919.643513708; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_2_quin	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.33944927; Eh

Results 1481-1490 of 2835 (Search time: 0.001 seconds).