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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes tiofenoincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.14303518; Eh
	9-Nov-2018	/noDisp/complexes sin-cnoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.8087443; Eh
	9-Nov-2018	/vacuum/complexes smeagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-811.378358750; Eh
	9-Nov-2018	/vacuum/complexes ph3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-821.901393892; Eh
	9-Nov-2018	/vacuum/complexes smeznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-721.614404971; Eh
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points TS2_Z_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1421712; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-842.813930598; Eh
	9-Nov-2018	/vacuum/complexes tiofenofecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2057.82709857; Eh
	9-Nov-2018	/vacuum/complexes smecrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-907.119173788; Eh
	9-Nov-2018	/vacuum/complexes sime3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1331.68792456; Eh

Results 22231-22240 of 103529 (Search time: 0.013 seconds).