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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2025	/77 77_H	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RwB97XD	DEF2SVP DEF2TZVPP	-991.1293554; Eh
	19-Mar-2025	clomeprop_CONF55_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1744.44614676; Eh
	27-Mar-2025	triasulfuron_CONF30_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2051.61066523; Eh
	27-Mar-2025	triasulfuron_CONF29_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2051.61267218; Eh
	27-Mar-2025	triasulfuron_CONF31_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2051.61038324; Eh
	23-Mar-2025	amicarbazone_CONF7_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-816.84899240; Eh
	23-Mar-2025	amicarbazone_CONF11_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-816.84717743; Eh
	23-Mar-2025	amicarbazone_CONF6_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-816.84734375; Eh
	23-Mar-2025	amicarbazone_CONF1_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-816.84347146; Eh
	23-Mar-2025	amicarbazone_CONF5_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-816.85023150; Eh

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