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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes broso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-329.412905635; Eh
	3-Oct-2019	gas_sp2_ts_pdph32_c_cis_M06	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31+G(D,P) SDD GEN	-3616.88666348; Eh
	3-Oct-2019	gas_sp2_ts_pdph32_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3617.32435888; Eh
	9-Nov-2018	/vacuum/metal_frag zncl3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1608.00534370; Eh
	30-Apr-2019	MECP_c8-c3_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2498.2248042; Eh
	30-Apr-2019	TS_c2p_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2498.2016584; Eh
	30-Apr-2019	MECP-c8-c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2498.2228773; Eh
	30-Apr-2019	CuII_Cl	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1595.1097639; Eh
	9-Nov-2018	/vacuum/metal_frag fecl3b3lyp_high	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1504.64491442; Eh
	9-Nov-2018	/vacuum/metal_frag ptph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-462.535489522; Eh

Results 6431-6440 of 12842 (Search time: 0.007 seconds).