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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-hpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-471.809511; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-38Za-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-224.32491108; eV
	8-Nov-2018	/water/complexes aq-hk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-28.9278437; Eh
	12-Apr-2021	/Ta K-Cs	Bo, Carles	ADF; 2019	Geometry optimization	BP86	TZP	-
	23-Jul-2018	/1butene/Pt/100/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-298.87527338; eV
	8-Nov-2018	/water/complexes aq-hfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-578.0555203; Eh
	8-Nov-2018	/water/complexes aq-hfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1044.9997484; Eh
	8-Nov-2018	/water/complexes aq-henbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-283.7116901; Eh
	8-Nov-2018	/water/complexes aq-hemosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1267.3815668; Eh
	8-Nov-2018	/water/complexes aq-heniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-516.9751948; Eh

Results 13681-13690 of 104583 (Search time: 0.011 seconds).