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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Gas_Geometries G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-160.79311031; eV
	17-Oct-2017	/Solvation/h2o D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-267.70406218; eV
	17-Oct-2017	/Solvation/h2o G7	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-162.75013396; eV
	12-Feb-2019	sa-CuAu-2314	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-206.51499402; eV
	11-Apr-2021	/N_sulfonylguanidine n2-i5-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.93673831; Eh
	17-Oct-2017	/Solvation/h2o C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-267.66353511; eV
	1-Dec-2017	/Racemization/Scan1 Scan1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.270240836; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i5-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.22351340; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-ts1-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1259.88361140; Eh
	29-Feb-2016	Int3a-trans-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3793.31952995; Eh

Results 19431-19440 of 104510 (Search time: 0.013 seconds).