ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Search:

for

Current filters:

Start a new search

Add filters:

Results/Page |

Sort items by

In order

Authors/record

previous
1
2
3
4
5
6
7
...
21
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Sep-2021	SCO_TPSSh_S15_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2902.62717335; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S6_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3100.34571980; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S5_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2696.81288604; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S5_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2696.82123762; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S6_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3100.35535821; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S4_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2706.66864763; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S4_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2706.67695308; Eh
	27-Sep-2021	SCO_OPBE_S2_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-4399.37481623; Eh
	27-Sep-2021	SCO_OPBE_S2_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-4399.37790563; Eh
	27-Sep-2021	SCO_OPBE_S1_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UOPBE	DEF2TZVP	-3158.03954637; Eh

Results 31-40 of 204 (Search time: 0.002 seconds).