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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2025	picarbutrazox_E_CONF180_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97065226; Eh
	23-Mar-2025	picarbutrazox_E_CONF181_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97094025; Eh
	23-Mar-2025	picarbutrazox_E_CONF187_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97247027; Eh
	23-Mar-2025	picarbutrazox_E_CONF191_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97236913; Eh
	23-Mar-2025	picarbutrazox_E_CONF174_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97119380; Eh
	23-Mar-2025	tebufloquin_CONF9_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.04417182; Eh
	23-Mar-2025	tebufloquin_CONF8_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.04435142; Eh
	23-Mar-2025	tebufloquin_CONF13_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.03575710; Eh
	23-Mar-2025	tebufloquin_CONF1_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.03743557; Eh
	23-Mar-2025	picarbutrazox_E_CONF214_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1384.97124824; Eh

Results 341-350 of 1915 (Search time: 0.001 seconds).