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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2024	nitrobenzene-2e	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-434.66352759; Eh
	24-Apr-2024	nitrobenzene-1e	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-435.26806872; Eh
	24-Apr-2024	nitrobenzene	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-435.61881627; Eh
	22-Sep-2023	Phorate_CONF293_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56208253; Eh
	22-Sep-2023	Phorate_CONF294_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56351872; Eh
	22-Sep-2023	Phorate_CONF283_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56226755; Eh
	22-Sep-2023	Phorate_CONF281_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56232122; Eh
	22-Sep-2023	Phorate_CONF25_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56353452; Eh
	22-Sep-2023	Phorate_CONF251_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.55976494; Eh
	22-Sep-2023	Phorate_CONF24_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56107323; Eh

Results 81461-81470 of 81544 (Search time: 0.074 seconds).