ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
277
278
279
280
281
282
283
...
312
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	/Pathway_c4c5_nocat Int4A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-3226.25162468; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Int3A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-651.954008438; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS3A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.21160870; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS5A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.25003482; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS4A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.23692163; Eh
	11-Feb-2022	/Pathway_c4c5_nocat B1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-651.943278985; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Br	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2574.30674557; Eh
	11-Feb-2022	/Pathway_c4c5_cat C1_Al	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.30521672; Eh
	11-Feb-2022	/Pathway_c4c5_cat B1_Al	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2221.94449429; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS3	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.25401291; Eh

Results 2791-2800 of 3111 (Search time: 0.005 seconds).