ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
109
110
111
112
113
114
115
...
284
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-3	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.17354297; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-3	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.66141095; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.40354541; eV
	31-Mar-2025	/P2W15Mo3_XII Mo0H_quin	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.32372828; Eh
	26-Sep-2024	U2_in_UN@C2(13)-C84_SYM	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.21343461; Eh
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-7	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-177.20134843; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COH-form COH-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-188.73450351; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/HCO-form HCO-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-188.97520250; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.49959209; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.06478635; eV

Results 1111-1120 of 2835 (Search time: 0.001 seconds).