ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_Me	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1788.59038386; Eh
20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh
20-Jul-2022	/Rh2(s-TCPTTL)4 rh2stcpttl4_aabb	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2331822; Eh
20-Jul-2022	/Rh2(s-TCPTTL)4 rh2stcpttl4_aaab	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2330458; Eh
20-Jul-2022	/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaa	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2511410; Eh

Results 61-65 of 65 (Search time: 0.002 seconds).