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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	KLVFFVHHQKLVFYR	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-6549.65293394; Eh
	31-Mar-2023	IPAIAGAIGGLIRK	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-4547.64767801; Eh
	31-Mar-2023	KRIVQRIKDFLR	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-5303.61745072; Eh
	31-Mar-2023	Triticonazole_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1359.95590743; Eh
	31-Mar-2023	Thymine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-454.54432113; Eh
	31-Mar-2023	Threonine_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-438.70362636; Eh
	31-Mar-2023	LPAGMSAKMLGGVFKID	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-6471.93286776; Eh
	31-Mar-2023	TKRKFGLMKKAYELSVLCDCEI	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-9655.18611606; Eh
	31-Mar-2023	CLFVFNWPDGGSITNKFG	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-7149.46784353; Eh
	31-Mar-2023	SFYVYSRVKN	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-4329.06895392; Eh

Results 291-300 of 309 (Search time: 0.001 seconds).