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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pt/110 C3H8N2_8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-488.44757673; eV
	4-Sep-2023	G4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-1100.67964598; Eh
	7-Jun-2024	/Benchmark_adcluster_sites 5-6A-on100-adcluster_fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsW As01W11O39-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.71036436; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets Cu_Phen_F_pFPhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1454.2317266; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI Cu_Phen_pFPhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1477.11140253; Eh
	23-Sep-2022	/pCF3_Bpin/PhI Cu_Phen_pCF3Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1580.82985246; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets Cu_Phen_pFPh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1100.1842559; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI pCF3Ph-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1004.86732812; Eh
	23-Sep-2022	/mmMePh_Bpin Cu_Phen_mmMePh_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1322.42778777; Eh

Results 27901-27910 of 103542 (Search time: 0.016 seconds).