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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/B2O4(C2H4)2 TS4CsB-O	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.42429991; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS4CsO_B	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.42818600; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS3B-C	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LanL2DZ; 6-311G**	-1289.39148544; Eh
	21-Jun-2019	/B2O4(C2H4)2 tetraB2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-657.867856224; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1827.39268439; Eh
	21-Jun-2019	/B2O4(C2H4)2 Prod	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-657.867856224; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1631.32842962; Eh
	22-Feb-2020	TScisVI_VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.27969006; Eh
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 Dissociated_MTDA2_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1672.65072379; eV
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 Dissociated_MTDA2_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1225.28613110; eV

Results 1311-1320 of 104079 (Search time: 0.004 seconds).