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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/L9/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-3212.48506714; Eh
	20-Apr-2026	/L12/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-3036.9036635; Eh
	20-Apr-2026	/L10/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-3004.8575418; Eh
	20-Apr-2026	/Oxazine/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L12/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L5/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L9/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	21-Apr-2026	/cycle/large_basis I3	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-2805.2151171; Eh
	21-Apr-2026	/cycle/large_basis I2	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-2496.6692093; Eh
	21-Apr-2026	/cycle/large_basis I7	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-5613.1515376; Eh

Results 392631-392640 of 397899 (Search time: 0.245 seconds).