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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2025	pyributicarb_CONF110_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1357.40521923; Eh
	19-Mar-2025	pyributicarb_CONF100_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1357.40417362; Eh
	19-Mar-2025	ofurace_CONF5_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1283.88310350; Eh
	19-Mar-2025	ofurace_CONF4_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1283.88508254; Eh
	19-Mar-2025	oxadixyl_CONF1_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-954.80426567; Eh
	29-Jun-2025	Tefluthrin_cis_CONF10_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1966.3729066; Eh
	29-Jun-2025	Tefluthrin_cis_CONF11_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1966.3729077; Eh
	29-Jun-2025	Tefluthrin_cis_CONF22_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1966.3724087; Eh
	29-Jun-2025	Tefluthrin_cis_CONF13_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1966.3729074; Eh
	29-Jun-2025	Tefluthrin_cis_CONF73_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1966.3551636; Eh

Results 381971-381980 of 401714 (Search time: 0.258 seconds).