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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_CONF258_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42768859; Eh
	29-Jun-2025	Allethrin_CONF274_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42677722; Eh
	29-Jun-2025	Allethrin_CONF260_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42828441; Eh
	29-Jun-2025	Allethrin_CONF26_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42948397; Eh
	29-Jun-2025	Allethrin_CONF238_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42725676; Eh
	29-Jun-2025	Allethrin_CONF239_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42750912; Eh
	29-Jun-2025	Allethrin_CONF27_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42541368; Eh
	29-Jun-2025	Allethrin_CONF247_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42660450; Eh
	31-Jan-2026	/di-nuclear_Co_and_Fe_complexes tris-FeTMP_pyridineT-M7-afc	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1719.93490691; Eh
	31-Jan-2026	/di-nuclear_Co_and_Fe_complexes tris-FeTMP_pyridine-M7-afc	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1719.95886721; Eh

Results 386911-386920 of 397850 (Search time: 0.219 seconds).