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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3nh3-h2o-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-172.754392791; Eh
	26-Feb-2024	ch3nh3-s-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-494.765988477; Eh
	31-Jan-2022	/Cluster_(R) LS_Co-vac_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3576.96975056; Eh
	25-Jun-2024	/Intermediates/Ag/110 C4H8_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-249.67325880; eV
	29-Jan-2024	Ti_TS3_2O	Garay Ruiz, Diego	ADF;	Transition state	PBE	TZ2P	-
	16-Jul-2024	/M_Fe_N_din6_s_c2_15/Ag_Fe_N_din6_s_c2_15 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-609.87687958; eV
	31-Jan-2022	/Cluster_(R) IS_Co-OOH_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.77744927; Eh
	25-Jun-2024	/Intermediates/Pt/110 C6H6O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-498.46068136; eV
	2-Oct-2023	/Non-Periodic_Systems H2O_pbesol_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-13.80108749; eV
	2-Oct-2023	/CoCrO4 CoCrO4_surf	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Geometry optimization	DFT	-	-

Results 27691-27700 of 103542 (Search time: 0.016 seconds).