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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/reaction_profiles/NMe3 NidppfNMe3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-7824.907519; Eh
	30-May-2021	/reaction_profiles/PCy3 NidppfPCy3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5813.2210066; Eh
	30-Jun-2020	g34220f	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-53.01034992; eV
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1050.13790712; Eh
	21-Jul-2020	TAMOF-2aniline	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-10574.9192101; Eh
	6-Aug-2020	/opt/intermediates/Pt/CH2F2 lesser	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-236.97405030; eV
	6-Aug-2020	/opt/intermediates/Pt/CH2Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-231.48283751; eV
	6-Aug-2020	/opt/intermediates/Pt/CH2F top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-232.93981091; eV
	30-May-2021	/reaction_profiles/POPh3 NiBrdppfPOPh3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8912.1772997; Eh
	30-May-2021	/reaction_profiles/POPh3 NidppfPOPh3_HATS_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8912.1461356; Eh

Results 35441-35450 of 104583 (Search time: 0.023 seconds).