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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Aug-2022	TS3a	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31+G(D,P)	-1673.06169497; Eh
	9-Aug-2022	TS3b	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31+G(D,P)	-1673.06478481; Eh
	9-Aug-2022	TS2b	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31+G(D,P)	-1096.68418788; Eh
	9-Aug-2022	TS2a	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P)	-1096.66319993; Eh
	9-Aug-2022	TS1	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31+G(D,P)	-812.193317023; Eh
	22-Aug-2022	/COOEt/triplet TS7_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13547367; Eh
	22-Aug-2022	/COOEt/singlet TS7_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13645060; Eh
	22-Aug-2022	/COOEt/triplet TS6_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.18176139; Eh
	22-Aug-2022	/COOEt/triplet TS5_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13915542; Eh
	22-Aug-2022	/COOEt/singlet TS5_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13735151; Eh

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