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Browsing by Author Deng, Chao

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Showing results 1 to 6 of 6

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2020	1a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G* 6-31G* GEN*	-784.028444291; Eh
	26-Aug-2020	2a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.70314314; Eh
	26-Aug-2020	RhcodCO3H	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G LANL2DZ GEN*	-685.633851405; Eh
	26-Aug-2020	TS2a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.65139115; Eh
	26-Aug-2020	TS2f	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.63448955; Eh
	26-Aug-2020	TS9a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.63836448; Eh

Showing results 1 to 6 of 6