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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2019	G32_G89_OOH33	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.57618932; Eh
	24-Apr-2019	G32_G89_OOH41	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.63264198; Eh
	24-Apr-2019	G32_G89_OOH36	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.58818900; Eh
	24-Apr-2019	G32_G89_OOH52	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.58567258; Eh
	24-Apr-2019	G32_G89_OOH25	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.56207806; Eh
	24-Apr-2019	G32_G89_OOH44	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.58473370; Eh
	24-Apr-2019	G32_G89_OOH-52	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.73210566; Eh
	10-Sep-2019	5_ads-m-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-580.14607558; eV
	10-Sep-2019	2_ads-t_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-365.56927530; eV
	10-Sep-2019	2_ads-m_t-4	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-365.26557213; eV

Results 21-30 of 370 (Search time: 0.001 seconds).