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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jun-2025	Allethrin_CONF148_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41845073; Eh
	29-Jun-2025	Allethrin_CONF156_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41712917; Eh
	29-Jun-2025	Allethrin_CONF147_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41680177; Eh
	29-Jun-2025	Allethrin_CONF149_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41886566; Eh
	29-Jun-2025	Allethrin_CONF135_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41730987; Eh
	29-Jun-2025	Allethrin_CONF151_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41739182; Eh
	29-Jun-2025	Allethrin_CONF14_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.41826440; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_1-methyl-1H-indole-new_scanNHpyroll2b_TS-dispb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1365.05255972; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_1-methyl-1H-indole-new_scanNHpyroll2b_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1365.05190758; Eh
	31-Jan-2026	/Substrate_scope CoTMP2_24-difluoropyridine-Fa_scanNH_TS-dispf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1408.67501711; Eh

Results 383261-383270 of 397867 (Search time: 0.277 seconds).