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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Oct-2023	/VO2_M1_config1_relaxed VO2_M_config1_phonon	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-103.57585918; eV
	9-Oct-2023	/VO2_M1_relaxed VO2_M1_relaxed_hse	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-130.67193211; eV
	9-Oct-2023	/VO2_dist_222 VO2_dist_1_h	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-819.54720199; eV
	9-Oct-2023	/VO2_dist_222 VO2_dist_1_elec	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-822.41107613; eV
	9-Oct-2023	/VO2_dist_333 VO2_333_dist1	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	57713.30529038; eV
	25-Jun-2024	/Intermediates/Au/110 C4H8_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-286.66477488; eV
	25-Jun-2024	/Intermediates/Ag/110 C3H8O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-247.89127344; eV
	25-Jun-2024	/Intermediates/Cu/111 C2HO2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ru/0001 ru-4aZ5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-514.44048153; eV
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-3801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-480.49531467; eV

Results 30181-30190 of 103542 (Search time: 0.02 seconds).