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

Search

previous
1
...
450
451
452
453
454
455
456
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41722048; eV
	10-Sep-2025	/System_S_with_the_silyl_group_ Sd	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1575.17849137; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sa	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-870.729858260; Eh
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41350871; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_012 disp_012	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.42939549; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.40192495; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41302672; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41380258; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_021 disp_021	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41785808; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_023 disp_023	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41904813; eV

Results 4521-4530 of 101953 (Search time: 0.005 seconds).