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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Aug-2020	/Ni_dppf_alkyl/Ni_I_CHMePh_dppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5089.5789925; Eh
	25-Aug-2020	/Ni_dppf_alkyl/Ni_dppf_open-dppf+ G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-8027.0778331; Eh
	26-Aug-2024	geom7_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9642206; Eh
	4-Sep-2023	dlpnoSP_TSI1-5	García-Padilla, Eduardo	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; autoaux	-1055.84677018; Eh
	7-Mar-2024	SP_C4b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1791.9879628; Eh
	24-Jan-2020	/opt_freq/Pt/CH2Br top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-218.30710016; eV
	24-Jan-2020	/opt_freq/Pt/CH3Br top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-221.69632375; eV
	25-Aug-2020	/Ni_dppf_alkyl/Ni_Br_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-10911.7578712; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiCldppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.3990437; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiCldppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.3990319; Eh

Results 16511-16520 of 104515 (Search time: 0.014 seconds).