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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3n	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.54818142; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3o	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55091084; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3r	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.54801244; Eh
	5-May-2021	/Relaxed_PES_Scans/4-tertbutoxybenzylium OtBu_Benzylium_Coarse_PES_Scan	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-503.19198901; Eh
	5-May-2021	/Relaxed_PES_Scans/4-isopropoxybenzylium OiPr_Fine_PES_Scan	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-463.78469827; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-463.85176183; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2d	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-590.20024503; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_1b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-553.03333219; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-668.80022896; Eh
	16-Jun-2023	/GSH GSH-H_tt_106_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1406.24818853; Eh

Results 51-60 of 328 (Search time: 0.002 seconds).