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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	/noDisp/complexes sin-shptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1017.491726; Eh
	9-Nov-2018	/noDisp/complexes sin-chch2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-254.5325065; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.4576256; Eh
	9-Nov-2018	/vacuum/complexes h2sconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-827.092825154; Eh
	9-Nov-2018	/noDisp/complexes sin-shfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1903.5633609; Eh
	19-Mar-2026	/Nb Nb02O07-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.29641571; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-727.0573477; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-559.5433558; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-834.7606163; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2691.6523462; Eh

Results 22771-22780 of 103529 (Search time: 0.014 seconds).