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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 tris-CoTMP_2-methoxypyridine-M7b	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.73727091; Eh
	31-Jan-2026	/Substrate_scope tris-CoTMP_2-methoxypyridine-M5	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.72256967; Eh
	31-Jan-2026	/Substrate_scope tris-CoTMP_2-methoxypyridine-M3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.69568379; Eh
	29-Jun-2025	Allethrin_RR_CONF175_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43523539; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNHph_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.62348316; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNHph_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.61656612; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNH_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.59864638; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNH_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.62348316; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNHph_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.57689110; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine_scanNH_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.59316992; Eh

Results 382041-382050 of 401714 (Search time: 0.234 seconds).