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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-cnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1531.987894; Eh
	9-Nov-2018	/water//water complexes aq-clalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2083.6892599; Eh
	19-Jun-2023	/HCOO-stabilization PdMLPt(111)-(3x3)-far-K-5H2O-H-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-359.61922453; eV
	27-Jun-2023	A4b-E	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1670.87344371; Eh
	9-Nov-2018	/water//water complexes aq-clrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-952.6650634; Eh
	9-Nov-2018	/water//water complexes aq-clniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-974.4865197; Eh
	9-Nov-2018	/water//water complexes aq-cnpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-907.7314643; Eh
	9-Nov-2018	/water//water complexes aq-ch3-oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.0662619; Eh
	9-Nov-2018	/vacuum/complexes imidazoloso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-541.840506547; Eh
	9-Nov-2018	/vacuum/complexes imidazolnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-506.995827370; Eh

Results 14241-14250 of 104583 (Search time: 0.011 seconds).