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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_Chloride I4-Cl	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3048.73902358; Eh
	20-Mar-2025	/MechanismA_Chloride TS2-Cl	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3774.73237410; Eh
	20-Mar-2025	/MechanismA_Iodide TS2-I	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3771.16812563; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_BC	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.63799472; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_BD	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64557594; Eh
	24-Jul-2024	model_MOF-545	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	GEN	-6536.16207019; Eh
	24-Jul-2024	W10	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3087.50863636; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_AH	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64506426; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_AG	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64532946; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_AE	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64235251; Eh

Results 1391-1400 of 2579 (Search time: 0.001 seconds).