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Browsing by Author Li, Hsien-Chin

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Showing results 1 to 7 of 7

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Jul-2023	AgCu_NH2_ts_fr	Li, Hsien-Chin	vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex	Frequencies	DFT	-	-117.58039127; eV
	7-Jul-2023	AgCu_NOH_ts	Li, Hsien-Chin	vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex	Frequencies	DFT	-	-118.33162095; eV
	7-Jul-2023	AgCu_ts_fr	Li, Hsien-Chin	vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex	Frequencies	DFT	-	-117.58039127; eV
	7-Jul-2023	br2	Li, Hsien-Chin	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-5143.40066966; Eh
	7-Jul-2023	feco4	Li, Hsien-Chin	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1716.55229955; Eh
	7-Jul-2023	feco5	Li, Hsien-Chin	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1829.87902685; Eh
	7-Jul-2023	hbr	Li, Hsien-Chin	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-2572.30919270; Eh

Showing results 1 to 7 of 7