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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ph2-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-820.692783262; Eh
	9-Nov-2018	/vacuum/complexes ch3-nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2133.97716676; Eh
	9-Nov-2018	/vacuum/complexes clznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-743.711707341; Eh
	9-Nov-2018	/vacuum/complexes coptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-575.932195767; Eh
	9-Nov-2018	/vacuum/complexes cofecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1617.98443720; Eh
	9-Nov-2018	/vacuum/complexes coaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-341.985464397; Eh
	9-Nov-2018	/vacuum/complexes faucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1616.38095420; Eh
	3-Oct-2019	water_sp2_ts_pdph32_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	GEN	-
	9-Nov-2018	/vacuum/complexes sZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2746.53002227; Eh
	9-Nov-2018	/vacuum/complexes coyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-532.917588306; Eh

Results 23901-23910 of 104471 (Search time: 0.016 seconds).