ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
16
17
18
19
20
21
22
...
35
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Bach_eth_system Bach_eth_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-4280.84064246; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_cis_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.76862866; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_TS1_	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4280.75412256; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4280.75404494; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4280.77919553; Eh
	20-Jul-2022	/Davies_Me Davies_Me_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4356.02467828; Eh
	20-Jul-2022	/Davies_Me Davies_Me_CA_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95318301; Eh
	20-Jul-2022	/Davies_Me Davies_Me_CT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4355.96350868; Eh

Results 181-190 of 348 (Search time: 0.001 seconds).