ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
37
38
39
40
41
42
43
...
63
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/GeomOpt_wB97XD M49	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.12602936; Eh
	28-Feb-2021	/GeomOpt_wB97XD M48	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.12104022; Eh
	28-Feb-2021	/GeomOpt_wB97XD M47	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.12185916; Eh
	28-Feb-2021	/GeomOpt_wB97XD M30	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UHF; UwB97XD	GENECP GEN	-3959.2736646; Eh
	28-Feb-2021	/GeomOpt_wB97XD M29	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UHF; UwB97XD	GENECP GEN	-3959.2709204; Eh
	28-Feb-2021	/GeomOpt_wB97XD M26	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UHF; UwB97XD	GENECP GEN	-3959.2549317; Eh
	28-Feb-2021	/GeomOpt_wB97XD M16	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.279929; Eh
	28-Feb-2021	/GeomOpt_wB97XD M15	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.235414; Eh
	28-Feb-2021	/GeomOpt_wB97XD M11	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2254798; Eh
	28-Feb-2021	/GeomOpt_wB97XD M9	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2273905; Eh

Results 391-400 of 630 (Search time: 0.002 seconds).