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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Pd/111 2215-1212+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	6-Feb-2025	/RbSnCl3_Pm3m OPT	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-18.22932044; eV
	1-Oct-2021	pCF3styrCOO_Cs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP DEF2SVP GEN	-856.475482808; Eh
	1-Oct-2021	pCF3styr_9BBN_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-985.867828186; Eh
	1-Oct-2021	pCF3_styrene	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-646.950955816; Eh
	29-Jul-2021	i211101+i121102-i332206+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-173.37568350; eV
	29-Jul-2021	i212102+i110101-i322106+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-169.78777775; eV
	29-Jul-2021	i212102+i111101-i323104+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-176.99780440; eV
	29-Jul-2021	i211101+i130101-i341101+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-171.70450281; eV
	2-Mar-2021	/Molybdenum/Mo1O6_7H Mo1O6_7H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-

Results 57811-57820 of 104126 (Search time: 0.034 seconds).