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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jun-2024	Anionic_Cl_C_COSMO	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def2-SVP	-5059.383265240; Eh
	13-Jun-2024	Anionic_NO3_C_COSMO	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def2-SVP	-4879.411631152; Eh
	13-Jun-2024	Anionic_OCN_C_COSMO	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def2-SVP	-4767.242583713; Eh
	25-Jun-2024	/Intermediates/Rh/110 C3H9N_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-38Z5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-109.88581386; eV
	16-Jan-2026	/FG_dataset/group2/gas 4801	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-65.34196715; eV
	1-Jul-2023	Ru-4xN6-Ru-4xN6-5.36_08	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1967.60880756; eV
	29-Sep-2025	/References/PBE_D3 co2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.96251382; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_048 disp_048	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60355748; eV
	25-Jun-2024	/Intermediates/Pt/110 C2H5NO	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-466.80050459; eV

Results 31311-31320 of 104079 (Search time: 0.021 seconds).