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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 ofenohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-406.506516426; Eh
	9-Nov-2018	/vacuum/complexes sptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-860.726492887; Eh
	9-Nov-2018	/vacuum/complexes sgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1781.09792697; Eh
	19-Mar-2026	/VW V00W04O15-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.70318155; Eh
	9-Nov-2018	/vacuum/complexes scrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-867.379556877; Eh
	9-Nov-2018	/vacuum/complexes shcrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-867.807309300; Eh
	9-Nov-2018	/vacuum/complexes scnyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-911.153762325; Eh
	9-Nov-2018	/vacuum/complexes scnzrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-883.729337366; Eh
	9-Nov-2018	/vacuum/complexes scnznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.516186275; Eh
	9-Nov-2018	/vacuum/complexes scnzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2099.04696847; Eh

Results 22331-22340 of 103529 (Search time: 0.013 seconds).