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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2021	/Proton_Transfer_Transition_States/DFT 4-tertbutoxybenzylium_Ei_TS	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization TS	-	def2-TZVPP	-503.15039372; Eh
	5-May-2021	/Proton_Transfer_Transition_States/DFT 4-isopropoxybenzylium_Ei_TS	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization TS	-	def2-TZVPP	-463.81761230; Eh
	9-Jan-2023	/Kinetics_Simulations/Tautomerization_Transition_States/DFT Humulone_Ag_cis_IPA_2mer_1S_1R_TS	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization TS	-	def2-TZVPP	-1730.06005243; Eh
	9-Jan-2023	/Kinetics_Simulations/Tautomerization_Transition_States/DFT Humulone_Ag_cis_IPA_1mer_1R_TS	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization TS	-	def2-TZVPP	-1535.72559136; Eh
	9-Jan-2023	/Kinetics_Simulations/Tautomerization_Transition_States/DFT Humulone_Ag_trans_IPA_1mer_1R_TS	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization TS	-	def2-TZVPP	-1535.75122290; Eh
	9-Jan-2023	/Kinetics_Simulations/Tautomerization_Transition_States/DFT Humulone_Ag_cis_IPA_3mer_2S_1R_TS	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization TS	-	def2-TZVPP	-1924.55823921; Eh
	31-May-2022	/Catalytic_cycle/MgMg TS1_MgMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-2461.27111608; Eh
	31-May-2022	/Catalytic_cycle/MgMg TS2_MgMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-2649.74842584; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS3b_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4229.03723385; Eh
	31-May-2022	/Catalytic_cycle/ZnZn TS1_ZnZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-5619.85813082; Eh

Results 1-10 of 27 (Search time: 0.002 seconds).