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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_RR_CONF123_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43425135; Eh
	29-Jun-2025	Allethrin_RR_CONF114_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43476278; Eh
	29-Jun-2025	Allethrin_RR_CONF116_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43285318; Eh
	29-Jun-2025	Allethrin_RR_CONF12_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43722600; Eh
	29-Jun-2025	Allethrin_RR_CONF11_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.43698963; Eh
	31-Jan-2026	/Substrate_scope tris-CoTMP_2-methoxypridineT-M7_afcbb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.71432631; Eh
	31-Jan-2026	/Substrate_scope tris-CoTMP_2-methoxypridineT-M7	Mu, Manting	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.70555099; Eh
	31-Jan-2026	/Substrate_scope tris-CoTMP_2-methoxypyridine-M1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1877.69600288; Eh
	31-Jan-2026	/pyridine_C-H_metalations R_pyridine	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-248.202491299; Eh
	31-Jan-2026	/Substrate_scope R_quinoxaline	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-417.825438002; Eh

Results 386941-386950 of 397850 (Search time: 0.254 seconds).