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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2022	tBuCOOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-346.379730154; Eh
	9-Nov-2022	IM3	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBE1PBE	DEF2SVP	-1361.21653932; Eh
	9-Nov-2022	TS3	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1666.16826046; Eh
	9-Nov-2022	TS1_prime_S	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-3360.93918104; Eh
	9-Nov-2022	IM2_prime_S	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-3360.94469822; Eh
	13-Feb-2023	/neutral_H 16	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-654.246134672; Eh
	13-Feb-2023	/neutral_H 18	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-654.277289027; Eh
	13-Feb-2023	/neutral_SPh 39_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.85741272; Eh
	13-Feb-2023	/neutral_SPh 40_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.82747005; Eh
	13-Feb-2023	/neutral_SPh 42_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.83865158; Eh

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