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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-IrAu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-340.24837896; eV
	28-Nov-2017	ss-ZnCu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-96.21599870; eV
	11-Apr-2021	/Diels_Alder add-h9-ma-b3lyp-b	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-919.115609111; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i4-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-2347.23713589; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i3-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19970031; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i3-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.18788021; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts2-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2347.21676751; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-i2-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.50514281; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-i3-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.54136519; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-ts1-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1338.50081941; Eh

Results 3141-3150 of 104079 (Search time: 0.006 seconds).