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
...
5
6
7
8
9
10
11
...
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_M06L_S14_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UM06L	GENECP	-3460.69251189; Eh
	27-Sep-2021	SCO_TPSSh_S12_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4077.69180373; Eh
	27-Sep-2021	SCO_TPSSh_S12_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4077.70787716; Eh
	27-Sep-2021	SCO_TPSSh_S11_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-8013.44778321; Eh
	27-Sep-2021	SCO_TPSSh_S10_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2719.21510846; Eh
	27-Sep-2021	SCO_TPSSh_S13_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2673.47021856; Eh
	27-Sep-2021	SCO_TPSSh_S13_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2673.45201021; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S11_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-7991.12412895; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S11_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-7991.13630926; Eh
	27-Sep-2021	SCO_B3LYPSTAR_S7_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-5100.70158600; Eh

Results 71-80 of 204 (Search time: 0.003 seconds).