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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-clconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-888.4117526; Eh
	9-Nov-2018	/noDisp/complexes sin-clnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-741.1767464; Eh
	9-Nov-2018	/noDisp/complexes sin-cncunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-459.701374; Eh
	9-Nov-2018	/vacuum/complexes sih3-incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.69546122; Eh
	9-Nov-2018	/vacuum/complexes sih3-hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-467.870439522; Eh
	4-Jan-2026	ph3_NMR	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP; RPBE1PBE	6-31G(D) 6-31+G(D,P) GEN	-343.02354; Eh
	19-Mar-2026	/Nb Nb05O14-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.50709790; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-406.7657449; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-3812-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.10293201; eV
	9-Nov-2018	/noDisp/complexes sin-ch3-nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-320.8192549; Eh

Results 21571-21580 of 103542 (Search time: 0.013 seconds).