ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
3289
3290
3291
3292
3293
3294
3295
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-CdRe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-165.76802349; eV
	28-Nov-2017	ss-RuAu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-344.44837740; eV
	28-Nov-2017	ss-RuCu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-355.50249313; eV
	28-Nov-2017	ss-CuRh-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-217.57062548; eV
	28-Nov-2017	ss-RuCo-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-403.77070953; eV
	28-Nov-2017	ss-RuCd-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-314.25824168; eV
	19-Mar-2026	/Nb Nb06O19-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.01691747; Eh
	28-Nov-2017	ss-CdRe-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-188.29510451; eV
	28-Nov-2017	ss-CdOs-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-173.48890927; eV
	28-Nov-2017	ss-CdPd-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-105.59626434; eV

Results 32911-32920 of 104079 (Search time: 0.02 seconds).