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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2022	CoCpOAc_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1999.73115515; Eh
	9-Nov-2022	IM1_S	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2688.44835663; Eh
	9-Nov-2022	h2o	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-76.2750969250; Eh
	9-Nov-2022	acetic_acid	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-228.651093739; Eh
	9-Nov-2022	IM1_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2688.45155198; Eh
	22-Aug-2022	/COOEt/triplet IM7_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2989.15624444; Eh
	22-Aug-2022	/COOEt/triplet IM10_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2989.25507653; Eh
	22-Aug-2022	/COOEt/triplet IM8_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2989.19804372; Eh
	22-Aug-2022	/COOEt/singlet IM9_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2551.90746046; Eh
	22-Aug-2022	/COOEt/triplet IM9_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2551.91474297; Eh

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