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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Nov-2024	/Tetracene/Trimers Trimer_ACK	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.47395921; Eh
	20-Mar-2025	/MechanismA_Bromide 22Me	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-846.227739297; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_ABE	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.45663342; Eh
	20-Mar-2025	/MechanismA_Bromide K_OtBu_THF	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-493.601898836; Eh
	20-Mar-2025	/MechanismA_Bromide I3	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3046.90752718; Eh
	20-Mar-2025	/MechanismA_Bromide I4	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3046.95103759; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_ABD	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.46716791; Eh
	20-Mar-2025	/MechanismA_Bromide THF	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-232.391928688; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_ABC	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.45958541; Eh
	26-Nov-2024	/Ethene Ethene_Stack_Disordered	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1170.49659455; Eh

Results 1431-1440 of 2579 (Search time: 0.001 seconds).