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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Mar-2025	triasulfuron_CONF29_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-2051.57316992; Eh
	24-Mar-2025	Phenothrin_RR_CONF682_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1117.84736181; Eh
	28-Mar-2025	piperalin_CONF14_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1748.08451096; Eh
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.70397776; eV
	9-Apr-2025	/clean surface_163	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.92795511; eV
	26-Mar-2025	Phenothrin_RR_CONF121_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1117.84623276; Eh
	24-Mar-2025	Phenothrin_RR_CONF673_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1117.84764329; Eh
	27-Mar-2025	pyriminobac-methyl_E_CONF67_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1274.91762989; Eh
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1252.73282597; eV
	23-Mar-2025	Transfluthrin_CONF6_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2049.15556848; Eh

Results 1-10 of 69885 (Search time: 0.014 seconds).