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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jan-2022	/Isomerization/opt/Single_Points TS1_iso_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2755.4095666; Eh
	9-Nov-2018	/water/metal_frag aq-PdHPH32b3lyp_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-814.7048827; Eh
	9-Nov-2018	/water//water complexes aq-bpinnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-534.9409579; Eh
	9-Nov-2018	/water//water complexes aq-bpinauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-732.9953249; Eh
	9-Nov-2018	/water//water complexes aq-brfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1057.8616128; Eh
	9-Nov-2018	/water//water complexes aq-brptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-632.4147753; Eh
	9-Nov-2018	/vacuum/complexes imidazolconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-654.020296032; Eh
	9-Nov-2018	/vacuum/complexes imidazolauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-705.006712677; Eh
	9-Nov-2018	/water//water complexes aq-bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.8706001; Eh
	9-Nov-2018	/water/metal_frag aq-fecl3-b3lyp_high	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1504.8882614; Eh

Results 22651-22660 of 103529 (Search time: 0.014 seconds).