ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
...
8
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_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.77041309; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_CT_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8788407; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_SiH3	Guo, Wentao	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-2039.96302181; Eh
	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
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_TS0_aabb2_cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-5625.18364187; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_TS0_abbb_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-5625.16797090; Eh
	9-Jan-2024	/model_system TS4_H-cis-chair-in-high	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80239977; Eh
	9-Jan-2024	/model_system TS5_H-trans-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.81347208; Eh
	9-Jan-2024	/model_system TS5_H-trans-boat-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80665309; Eh

Results 11-20 of 72 (Search time: 0.002 seconds).