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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_2-methylpyridine-new2_scanNHmeta_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.51386564; Eh
	29-Jun-2025	Allethrin_RR_CONF24_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43581846; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHorthoN_TSb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.25917561; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHorthoN_TSb-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.29590833; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHortho_TSb-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.29590832; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHortho_TSb-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.26768900; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHorthoN_TSb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.25589556; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHortho_TSb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.26233098; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine_scanNHmeta_TSb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.23843634; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_pyrimidine	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1226.29590833; Eh

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