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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2016	PdII_Cl_OOH_RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.491184773; Eh
	9-May-2016	PdII_Cl2_2OH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1199.78894039; Eh
	9-May-2016	Pd0_Cl_OR	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-819.095244812; Eh
	9-May-2016	TS_III	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.456885788; Eh
	9-May-2016	TS_IV	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.466717438; Eh
	9-May-2016	TS_II	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.469264016; Eh
	9-May-2016	TS_V	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-971.750683657; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-558.886117820; Eh
	4-Jan-2022	/CH2OH_rotation_isomers/opt Eprime_syn	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) 6-31+G(D) LANL2DZ GENECP	-3927.37069118; Eh
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSdiss_MTDA2_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1224.46516941; eV

Results 661-670 of 104079 (Search time: 0.004 seconds).