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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2021	/N_sulfonylguanidine n1-ts1-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1405.17002810; Eh
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC1 Dissociated_TDA_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1292.77332014; eV
	29-Feb-2016	Int3a-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3793.31684002; Eh
	17-Oct-2017	/Gas_Geometries G9	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-162.23932904; eV
	28-Nov-2017	ss-NiIr-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-295.66081250; eV
	29-Feb-2016	FCa-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2463.51748383; Eh
	12-Feb-2019	sa-CdRu-2411	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-82.67679938; eV
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-558.796653857; Eh
	31-Jul-2020	AC_TS_addCH2Br2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-699.76090643; eV
	11-Apr-2021	/N_sulfonylguanidine sa-cf3-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-942.010492335; Eh

Results 19471-19480 of 104510 (Search time: 0.013 seconds).