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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2019	G32_G89_charge1_mult4	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-1872.63661995; Eh
	24-Apr-2019	G32_G89_charge1_mult2	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-1872.68726082; Eh
	24-Apr-2019	G32_P109_OH88	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-1947.87431778; Eh
	24-Apr-2019	G32_P109_OOH510	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.03449077; Eh
	24-Apr-2019	G32_P109_OOH41	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.05357860; Eh
	24-Apr-2019	P12_P109_OH52	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1947.22470866; Eh
	24-Apr-2019	P12_P109_OH53	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1947.26143184; Eh
	24-Apr-2019	P12_P109_OOH-29	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.56130899; Eh
	24-Apr-2019	P12_P109_OOH-32	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	6-31g(d,p); 6-31+g(d,p)	-2022.55638835; Eh
	24-Apr-2019	G32_G89_OH24	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1948.44518454; Eh

Results 141-150 of 370 (Search time: 0.001 seconds).