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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_pdph3_s_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.17863695; Eh
	3-Oct-2019	DMF_sp2_ts_pdph3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.16172939; Eh
	30-Apr-2019	Br_MECP_c4_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-25424.0867224; Eh
	30-Apr-2019	Ms_c2p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2267.0953592; Eh
	3-Oct-2019	DMF_sp2_ts_pdpf32_c_trans2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-4213.01532782; Eh
	30-Apr-2019	Br_MECP_c4_c5_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-25424.0864979; Eh
	30-Apr-2019	Ms_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2267.1132474; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_c_transnoulliu_freqread	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28331552; Eh
	3-Oct-2019	dmf_dostransPh240	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-4811.9556538; Eh
	3-Oct-2019	dmf_pdpph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-2200.67606134; Eh

Results 7521-7530 of 13266 (Search time: 0.006 seconds).