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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-May-2024	SbW9_TiOOH	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	GENECP	-
	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
	25-Nov-2024	/Tetracene/Dimers Dimer_AB	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.63901360; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_AC	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64564758; 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
	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
	9-Sep-2024	/Mecanism_Fig_1 Int_VIII	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) GENECP	-1568.14120615; Eh
	9-Sep-2024	/Mecanism_Fig_1 Int_V	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-2772.44996548; Eh

Results 1401-1410 of 2579 (Search time: 0.001 seconds).