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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_RS_CONF194_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42414267; Eh
	29-Jun-2025	Allethrin_RS_CONF197_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42332545; Eh
	29-Jun-2025	Allethrin_RS_CONF198_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42313541; Eh
	29-Jun-2025	Allethrin_RS_CONF200_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42330884; Eh
	29-Jun-2025	Allethrin_RS_CONF204_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42316747; Eh
	29-Jun-2025	Allethrin_RS_CONF206_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42321379; Eh
	6-Feb-2026	AX1_Orca_ROKS	Novotny, Jan	Orca; 6.1.0; RELEASE	Single point	DFT	def2-TZVPP; CPCM(chloroform)	-1625.44973630315258; Eh
	29-Jun-2025	Allethrin_RS_CONF52_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42438380; Eh
	29-Jun-2025	Allethrin_RS_CONF57_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42288898; Eh
	29-Jun-2025	Allethrin_RS_CONF63_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42572041; Eh

Results 387021-387030 of 397867 (Search time: 0.246 seconds).