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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CH2CH2CH3-TS2-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1266.87252083; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1266.60830455; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-CH2CHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1259.66496995; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CHCH2CH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1267.10041072; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1250.59531071; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1207.84449078; eV
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1205.17592964; eV
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3584.28287826; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-797.065076750; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s3h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1195.24483394; Eh

Results 2331-2340 of 2835 (Search time: 0.001 seconds).