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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-May-2019	cat8_TS4synsiB	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-1935.38164648; Eh
2-May-2019	cat8_TS4synsiA	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-1935.38431369; Eh
2-May-2019	cat10_TS4antire	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-1861.37078594; Eh
2-May-2019	cat8_TS4antireB_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-1935.5504135; Eh
2-May-2019	cat8_TS4synsiA_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-1935.5476735; Eh
2-May-2019	cat8_TS4antireB	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-1935.39128569; Eh
1-Sep-2023	B-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1456.0459921; Eh
3-Oct-2019	thf_dosmet240ph3freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+G(D,P) SDD GEN	-3425.5631103; Eh
3-Oct-2019	thf_dostranspf3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+G(D,P) SDD GEN	-4021.2318852; Eh
3-Oct-2019	thf_dosmet240trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-3661.5289913; Eh

Results 8471-8480 of 12919 (Search time: 0.008 seconds).