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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_scanNHpara_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1308.66208142; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_diphenylmethanimine	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1518.62357221; Eh
	29-Jun-2025	Allethrin_RR_CONF215_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43354820; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_scanNHmethyl_TS-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-methylpyridine-new2_scanNHmethyl_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.55600138; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_scanNHparab_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.56119163; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_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	-1249.55510777; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_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	-1249.56116402; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_scanNHmethyl_TS	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.54267258; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_2-methylpyridine-new2_scanNHorthob_TS1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1249.53830021; Eh

Results 382051-382060 of 401714 (Search time: 0.272 seconds).