ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2023	/Functional_Effect/Anionic_Model/M_=_Ru(III_II) GeW11Ru-II-(H2O)O39_6-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-466.141229; eV
	21-Jun-2023	/Functional_Effect/Anionic_Model/M=_Mn(III_II) ZnW11Mn-II-(H2O)O39_8-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-473.752168; eV
	21-Jun-2023	/Functional_Effect/Anionic_Model/M=_Mn(III_II) GeW11Mn-II-(H2O)O39_6-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-469.239447; eV
	21-Jun-2023	/Explicit_Counterions Hole-A-K5_PW11Co(H2O)O39	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-462.076933; eV
	21-Jun-2023	/Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K6_GeW11Fe(H2O)O39	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-461.967496; eV
	21-Jun-2023	/Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K6_SiW11Ru(H2O)O39	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-466.651310; eV
	21-Jun-2023	/Anionic_Model _PW11Mn(H2O)O39_4-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-465.959616; eV
	21-Jun-2023	/Functional_Effect/Explicit_Counterions/M=Mn(III_II) K5_GeW11Mn(H2O)O39	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-459.751304; eV
	21-Jun-2023	/Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K4_AsW11Fe(H2O)O39	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-453.239402; eV
	21-Jun-2023	/Functional_Effect/Anionic_Model/M_=_Fe(III_II) GeW11Fe-III-(H2O)O39_5-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-463.653071; eV

Results 51-60 of 71 (Search time: 0.001 seconds).