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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-OsCu-0000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-510.65363416; eV
	9-Nov-2018	/vacuum/complexes h2ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-653.734932691; Eh
	9-Nov-2018	/vacuum/complexes fenilrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-723.840309093; Eh
	9-Nov-2018	/vacuum/complexes fenilfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-809.042812613; Eh
	9-Nov-2018	/vacuum/complexes h2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1624.40649757; Eh
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-284.76430531; eV
	13-Apr-2021	Cu(100)-3x3-CH2-C(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.83621126; eV
	9-Nov-2018	/vacuum/complexes h2ocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-389.132122855; Eh
	9-Nov-2018	/vacuum/complexes frhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-591.990587585; Eh
	9-Nov-2018	/vacuum/complexes fpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-914.715174456; Eh

Results 25581-25590 of 103529 (Search time: 0.016 seconds).