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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Jun-2025	Allethrin_RS_CONF195_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40041341; Eh
29-Jun-2025	Allethrin_RS_CONF196_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40079237; Eh
29-Jun-2025	Allethrin_RS_CONF197_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40089650; Eh
29-Jun-2025	Allethrin_RS_CONF198_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40038521; Eh
29-Jun-2025	Allethrin_RS_CONF204_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40037742; Eh
29-Jun-2025	Allethrin_RS_CONF206_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40052892; Eh
29-Jun-2025	Allethrin_RS_CONF209_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40079937; Eh
29-Jun-2025	Allethrin_RS_CONF200_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40071981; Eh
29-Jun-2025	Allethrin_RS_CONF203_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40061320; Eh
4-Feb-2026	CpSRh_alkene_MI_H2_i1b_sps	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2253.03669819010202; Eh

Results 382081-382090 of 401714 (Search time: 0.252 seconds).