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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Jun-2025	Allethrin_RS_CONF180_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39812166; Eh
29-Jun-2025	Allethrin_RS_CONF183_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39808399; Eh
29-Jun-2025	Allethrin_RS_CONF190_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39945355; Eh
29-Jun-2025	Allethrin_RS_CONF194_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39977768; Eh
29-Jun-2025	Allethrin_RS_CONF175_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40218457; Eh
29-Jun-2025	Allethrin_RS_CONF184_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40214309; Eh
29-Jun-2025	Allethrin_RS_CONF187_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40208488; Eh
29-Jun-2025	Allethrin_RS_CONF189_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40013933; Eh
29-Jun-2025	Allethrin_RS_CONF19_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39762176; Eh
4-Feb-2026	CpSRhH_BF_HFelim_sH62F40_41ts_ircr_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2251.83925998288032; Eh

Results 386991-387000 of 397867 (Search time: 0.242 seconds).