ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
...
18
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_log	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-9500.96821431; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_SiH3	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-2039.96069488; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_CBr3	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-9500.95671670; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_Cl	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2208.86302262; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_Cl	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2208.85244919; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_Me	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1788.58315082; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.03506717; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TT_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GENECP	-14577.8843920; Eh
	20-Jul-2022	/triplet_state Bach_iPr_TT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0249288; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0206186; Eh

Results 31-40 of 175 (Search time: 0.002 seconds).