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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2018	CH₃O+OH	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1119.83279880; eV
	30-Jan-2018	CO₂+H₂	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1118.76390804; eV
	11-Apr-2021	/Diels_Alder add-dma9-ma-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-997.756855744; Eh
	4-Jan-2022	/Starting_Materials/opt/Single_Points Cl	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	AUG-CC-PVTZ GEN	-460.4034551; Eh
	2-Aug-2018	MDsnap_dimer2_4980	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.77857636; eV
	2-Aug-2018	MDsnap_trimer1_160	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2225.06459445; eV
	23-Aug-2018	/ni111/ch3 4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-208.38368346; eV
	23-Aug-2018	/ni111/h hcp	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-192.04556058; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_ads_Ag_211	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-433.09459912; eV
	30-Jan-2018	CH₃O+3OH	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1134.66006559; eV

Results 12961-12970 of 104079 (Search time: 0.009 seconds).