ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
150
151
152
153
154
155
156
...
159
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2024	SP_TS_m_NO2	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP	-1404.2988938; Eh
	28-Feb-2024	SP_TS_m_OMe	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP	-1314.2777332; Eh
	28-Feb-2024	TS2_sigma_bond_metathesis	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1198.49095308; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M17	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2400.9442027; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M18	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2400.9285127; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M20	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2055.6609836; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M19	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2055.7062871; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M14	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2178.6738406; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M12	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2523.9368592; Eh
	18-Jun-2024	/GeomOpt_PBEPBE M15	Ekeli, Jonas B.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2257.2229466; Eh

Results 1521-1530 of 1589 (Search time: 0.002 seconds).