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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2026	/Substrate_scope CoTMP2_3-methoxypyridine-N-new2_scanNHorthoO_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.71903271; Eh
	29-Jun-2025	Allethrin_RR_CONF23_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43587598; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHorthoF_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.46140779; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHorthoF_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.48308337; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHmeta_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.47438918; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHmeta_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.46297516; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHorthoF_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.41984749; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-fluoropyridine-N_scanNHmeta_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1309.42539044; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_quinoxaline_scanNHmeta_TSb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1379.86834698; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_quinazoline-a	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1379.89424381; Eh

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