ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
770
771
772
773
774
775
776
...
813
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-May-2024	c5ab-co3c-s15f	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RwB97XD	SDD 6-31G(D,P) GEN	-1742.73493787; Eh
	7-May-2024	c5ab-co3a-s12f	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RwB97XD	SDD 6-31G(D,P) GEN	-1742.74203495; Eh
	7-May-2024	c3ab-co3b-s14f	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RwB97XD	SDD 6-31G(D,P) GEN	-1742.73613331; Eh
	17-May-2024	/thermal/Fe3Mn2/aa1 aa1-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10490.0061535; Eh
	17-May-2024	/thermal/Fe3Mn2/ac2 ac2-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10490.0047435; Eh
	17-May-2024	/thermal/Fe3Mn2/ac1 ac1-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10490.0325949; Eh
	17-May-2024	/thermal/Fe3Mn2/aa2 aa2-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10489.992279; Eh
	8-Jan-2024	im2-trans-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5866853; Eh
	8-Jan-2024	im3-trans-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5908982; Eh
	8-Jan-2024	im4-trans-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5879731; Eh

Results 7721-7730 of 8124 (Search time: 0.007 seconds).