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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-xealcl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1638.7637139; Eh
	9-Nov-2018	/noDisp/complexes sin-sZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2746.5147408; Eh
	26-Aug-2024	geom7_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0307263; Eh
	9-Nov-2018	/noDisp/metal_frag sin-ircoph32b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-903.8292362; Eh
	9-Nov-2018	/noDisp/metal_frag sin-ptf5b3lypIV	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-618.67585; Eh
	9-Nov-2018	/noDisp/complexes sin-tiofenoyh2o5_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-972.6369144; Eh
	9-Nov-2018	/noDisp/complexes sin-smehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-614.6830153; Eh
	9-Nov-2018	/vacuum/complexes h2sticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1838.24789016; Eh
	9-Nov-2018	/noDisp/complexes sin-xeZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2364.0228003; Eh
	9-Nov-2018	/noDisp/complexes sin-xewco5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-649.4191548; Eh

Results 23271-23280 of 103529 (Search time: 0.016 seconds).