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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2019	P41_P710_charge0_mult1	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1871.67656751; Eh
	24-Apr-2019	P12_P109_OOH-92	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.56130909; Eh
	24-Apr-2019	G32_G89_OH12	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.50603718; Eh
	24-Apr-2019	G32_G89_OH13	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.49952448; Eh
	24-Apr-2019	G32_G89_OOH-24	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.73163300; Eh
	10-Sep-2019	4_ads-m_t_t_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-511.13796981; eV
	10-Sep-2019	3_ads-m_t_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-439.01040177; eV
	10-Sep-2019	3_ads-b_t_t-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-439.11655786; eV
	10-Sep-2019	2_ads-b_b-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.88258417; eV
	10-Sep-2019	1_ads-t-4	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.47854430; eV

Results 91-100 of 370 (Search time: 0.001 seconds).