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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	39-IPr-TS_4-5	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	B3LYP	SDD 6-31G(D,P) GEN	-13087.6902204; Eh
	23-Apr-2026	37-IPr-TS_3-4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-13087.6925562; Eh
	23-Apr-2026	40-IPr-I5	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-13087.7131679; Eh
	23-Apr-2026	38-IPr-I4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-13087.6911111; Eh
	23-Apr-2026	36-IPr-I3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-13087.6895182; Eh
	23-Apr-2026	41-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	B3LYP	6-31G(D,P) GEN	-251.856484867; Eh
	23-Jul-2026	35-c7N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-1649.44733467; Eh
	23-Jul-2026	27-c3N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.42607295; Eh
	23-Jul-2026	28-TS_c3N-c4N-meta	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1649.40274983; Eh
	5-Nov-2025	V-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-914.1712953; Eh

Results 11471-11480 of 12948 (Search time: 0.009 seconds).