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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	wat_set_Me	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) GEN	-39.8471784708; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_7_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07560407; Eh
	6-May-2019	CP-4Pd-i03	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1102.60424932; eV
	6-May-2019	CP-4Pd-i02	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1103.54800399; eV
	6-May-2019	CP-4Pd-i01	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1094.55500349; eV
	3-Oct-2019	thf_set_Brpdpph3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3735.76576850; Eh
	3-Oct-2019	dmf_set_Brpdpph3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3735.77090041; Eh
	3-Oct-2019	thf_set_Brpdpme3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3160.54796246; Eh
	3-Oct-2019	gas_set_Brpdpme3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3160.52470115; Eh
	3-Oct-2019	wat_set_Ph	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) GEN	-231.577879224; Eh

Results 34421-34430 of 103542 (Search time: 0.043 seconds).