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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pd/110 C4H9NO_11	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-439.95659187; eV
	18-Jun-2024	/Transition_states/Ir/111 2211-1011+1201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Os/0001 2316-1312+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	16-Jul-2024	/M_Fe_N_din6_s_c2_15/Co_Fe_N_din6_s_c2_15 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.15478971; eV
	1-Jul-2023	Ru-4xN6-pristine-4xN6-8.52_26	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1957.17827641; eV
	1-Jul-2023	Ru-4xN6-pristine-4xN6-8.52_27	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1957.48076528; eV
	13-Dec-2021	H2	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-6.76717764; eV
	22-Sep-2023	B-m	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2366.58080900; Eh
	22-Sep-2023	C-m	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2366.59124979; Eh
	11-Feb-2025	/Protonations_for_2e_reduced_Mo2O2S2_complex/First_protonations_for_2e_reduced_Mo2O2S2_complex Mo2O2S2-2e-1H(O-H)	Buils, Jordi	AMS; 2021.101; r94406	Frequencies	VWN	-	-411.846995; eV

Results 31331-31340 of 104079 (Search time: 0.023 seconds).