ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
...
14
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2021	/DFT/HS/STAGGERED Cr(5,6-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.58814651; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91792166; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(6-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91374742; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(6-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91724310; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(2-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91795874; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(1-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91817442; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1739.24068506; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1739.23935260; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(1,3-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.59548053; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(4,7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.59634712; Eh

Results 31-40 of 135 (Search time: 0.002 seconds).