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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	/vacuum/complexes bpinhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-430.573891591; Eh
	9-Nov-2018	/vacuum/complexes h2cuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-238.434963919; Eh
	9-Nov-2018	/vacuum/complexes h2oaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1592.83340716; Eh
	9-Nov-2018	/vacuum/complexes h2ocucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-366.657963855; Eh
	9-Nov-2018	/vacuum/complexes fznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-383.333599539; Eh
	4-Jan-2026	pme2h_NMR	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	6-31G GEN*	-421.5655255; Eh
	19-Mar-2026	/VW V01W00O04-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.78654148; Eh
	9-Nov-2018	/vacuum/complexes fenilyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-651.754292758; Eh
	9-Nov-2018	/vacuum/complexes fenilgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1614.59966695; Eh
	9-Nov-2018	/vacuum/complexes fenilaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1748.20388705; Eh

Results 23951-23960 of 106051 (Search time: 0.013 seconds).