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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2025	MECP4-5_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2315.99477200; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CH2CH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1263.02294228; eV
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CH2CH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1262.45899060; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.46078691; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-549.10879772; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.62351205; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-526.56336199; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.17935477; eV
	27-Jul-2025	Nonamer	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RZINDO; CIS	VSTO-6G STO-3G	-3026.1708299; Eh
	27-Jul-2025	Excited-State	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UPBEPBE	DEF2SVP GEN	-9128.39342238; Eh

Results 1471-1480 of 2835 (Search time: 0.001 seconds).