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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/Adducts N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-290.385672764; Eh
	27-Jun-2023	SP_smD-E	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-767.9947437; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-38Z2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.17543947; eV
	17-Apr-2019	/Methylation_of_MC2_to_MeMC4 MeMC4_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1652.55532450; eV
	17-Apr-2019	/Methylation_of_MC2_to_MeMC4 MeMC4_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1737.27350502; eV
	24-Feb-2020	/PaperStructures/Adducts A_N_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.030454675; Eh
	24-Feb-2020	/PaperStructures/Adducts A_N_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.593621195; Eh
	24-Feb-2020	/PaperStructures/Adducts A_N_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.545187223; Eh
	24-Feb-2020	/PaperStructures/Adducts A_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.108992967; Eh
	24-Feb-2020	/PaperStructures/Adducts N_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-504.298154258; Eh

Results 4011-4020 of 104079 (Search time: 0.005 seconds).