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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Dec-2024	USUM_UN@C2(13)-C84	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.19553503; Eh
	5-Dec-2024	U5_UN@C2(13)-C84	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.19719908; Eh
	5-Dec-2024	U1_UN@C2(13)-C84	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.21621869; Eh
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-550.18509915; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CH2CH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.86685234; eV
	9-Jun-2025	ss2-2H-e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-3589.11643724; Eh
	20-Mar-2025	/MechanismA_Bromide I2	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2200.62897052; Eh
	20-Mar-2025	/MechanismA_Bromide I1	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2022.50781996; Eh
	9-Jun-2025	ss2-2H	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.95777673; Eh
	20-Mar-2025	/MechanismB_Bromide I7	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1802.73319223; Eh

Results 1731-1740 of 2835 (Search time: 0.001 seconds).