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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3cf3-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-532.197538320; Eh
	29-Feb-2016	ICp-b-cis-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-311G**	-3793.35330953; Eh
	30-Jul-2020	AC_freq_TS_addCH2Br2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-699.11414365; eV
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z Benzanaldehyde	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-343.58818736; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-212.42632798; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-844.43713663; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-768.33818710; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2WW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-708.09818529; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-632.01517457; Eh
	27-Jun-2023	SP_tsE-B3jp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2675.1414668; Eh

Results 2691-2700 of 103928 (Search time: 0.005 seconds).