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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	Scan3a-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3792.32952121; Eh
	8-May-2017	Ru-6-05	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-345.13668282; eV
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-558.729441752; Eh
	23-Aug-2018	/solvation/no_solv hexane	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-106.98877833; eV
	28-Nov-2017	ol-RhAu-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-288.76951569; eV
	31-Jul-2020	rol3_TS_addCH2Br2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-652.91508418; eV
	8-May-2017	Ru-4-25	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-359.19201529; eV
	2-Aug-2018	MDsnap_trimer2_1700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.27838141; eV
	12-Feb-2019	sa-CdPd-2112	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-67.39177042; eV
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-635.123110708; Eh

Results 19481-19490 of 104510 (Search time: 0.012 seconds).