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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Cu-1122	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-154.80809164; eV
	21-Jun-2017	Ru-2224	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-462.71695879; eV
	21-Jun-2017	Ru-2223	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-462.61327333; eV
	12-Feb-2019	ss-CdCo-2522	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-150.23965275; eV
	12-Feb-2019	ss-AuZn-2201	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-153.73158064; eV
	21-Jun-2017	Ru-2222	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-462.59261048; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSdiss_MC1_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Improved Dimer Method	DFT	-	-1695.69012011; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC MC1diss+DMC_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1371.31530540; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSdiss_MC1_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1610.71330516; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC MC1diss+DMC_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1651.40424555; eV

Results 18321-18330 of 104512 (Search time: 0.012 seconds).