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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-singlet-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1217.85192817; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-singlet-ts1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1217.85999853; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.86175039; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-ts1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87767244; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-ts2o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87784590; Eh
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-C3H8-TS1-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1267.28097792; eV
	17-Jul-2025	/Pt3 Pt3-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-68.07364840; eV
	31-Mar-2025	/P2W15Mo3_X P2W15Mo3_X_Mo-O(H)-Mo_3Mo-O(H)-Wbelt_Wcap-O(H)-Wbelt_quin_10e	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6578.17295528; Eh
	17-Feb-2025	Fe4-SKprotonated-OH2_-5_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7001.32987018; Eh
	17-Feb-2025	Fe4-SKprotonated-OH_-6_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.87921735; Eh

Results 1701-1710 of 2835 (Search time: 0.001 seconds).