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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_anisole_scanNHortho_TS1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1308.67014673; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_anisole_scanNHmeta_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1308.66096927; Eh
	29-Jun-2025	Allethrin_RR_CONF224_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43357323; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methoxypyridine-O_scanNH_TSbb-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.75866010; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methoxypyridine-O_scanNH_TSbb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.75785085; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2-dispb-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.57822574; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methoxypyridine-O-newbbbb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.74631006; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methoxypyridine-O-newbbbb-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.74631008; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2-dispb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.57822574; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methoxypyridine-O_scanNH_TSbb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1324.71896853; Eh

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