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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Dec-2021	/MainMechanism/Hf TS3	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.11129639; Eh
22-Dec-2021	/MainMechanism/Hf TS3-out	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-
22-Dec-2021	/MainMechanism/Ti TS3-2O	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.27633627; Eh
22-Dec-2021	/MainMechanism/Ti TS3-out	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-
22-Dec-2021	/MainMechanism/Hf TS3-2S	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.33867373; Eh
22-Dec-2021	/MainMechanism/Hf TS1	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-24.35122462; Eh
22-Dec-2021	/MainMechanism/Hf TS3-2O	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.35024102; Eh
22-Dec-2021	/MainMechanism/Ti TS3-2S	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-21.28341178; Eh
22-Dec-2021	/MainMechanism/Hf TS3-2out	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-
22-Dec-2021	/BindingMode/Hf in_HOOH_Me	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-

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