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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes nh3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.671446204; Eh
	9-Nov-2018	/vacuum/complexes ncsznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.531741931; Eh
	9-Nov-2018	/vacuum/complexes ncscucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-781.418897168; Eh
	9-Nov-2018	/vacuum/complexes nh3aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-285.234459473; Eh
	9-Nov-2018	/vacuum/complexes izncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1619.44201102; Eh
	1-Sep-2023	1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1456.6900584; Eh
	9-Nov-2018	/vacuum/complexes ncscuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-728.439003026; Eh
	9-Nov-2018	/vacuum/complexes cchfecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1581.51947058; Eh
	9-Nov-2018	/vacuum/complexes nchgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1476.26201438; Eh
	9-Nov-2018	/vacuum/complexes nchzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1701.42988285; Eh

Results 6641-6650 of 12842 (Search time: 0.005 seconds).