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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt6 Pt6-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-79.84441393; eV
	17-Jul-2025	/Pt6 Pt6-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-79.85994978; eV
	17-Jul-2025	/Pt6 Pt6-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-73.09163928; eV
	17-Jul-2025	/Pt6 Naked_Pt6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.19334708; eV
	29-Oct-2025	/S3H/S3H_opt h3_1ts3oa_fixed	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.85873172; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts4oa_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89182507; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.85570253; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts5o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89071208; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82041076; Eh
	17-Jul-2025	/Pt6-C3N4 Pt6-C3N4-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-557.80034812; eV

Results 2141-2150 of 2835 (Search time: 0.001 seconds).