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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	DMF_sp2_ts_pdpf3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.01893693; Eh
	28-Mar-2019	/Low_coverage/Configurational_space (111)_configuration_C2	Morales-Vidal, Jordi	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-303.43540247; eV
	28-Mar-2019	/Low_coverage/Configurational_space (111)_configuration_D	Morales-Vidal, Jordi	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-306.64795949; eV
	30-Apr-2019	TS_c2p_c3_D_sec	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31G*	-2497.62389047; Eh
	30-Apr-2019	TS_c2p_c3_D_pri	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31G*	-2497.62389047; Eh
	30-Apr-2019	Ms_MECP_c1_c2_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2267.0510332; Eh
	30-Apr-2019	Ms_c1F	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.0503861; Eh
	30-Apr-2019	c2_D_sec	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31G*	-2497.65647649; Eh
	30-Apr-2019	c2_D_pri	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31G*	-2497.65647649; Eh
	30-Apr-2019	Ms_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.1392286; Eh

Results 25021-25030 of 104445 (Search time: 0.018 seconds).