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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2022	/enamine/DCM INT1c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-1885.62949465; Eh
	9-Nov-2022	tBuCOOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-346.379730154; Eh
	9-Nov-2022	TS1_prime_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-3360.95067765; Eh
	9-Nov-2022	CoCpOAc_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1999.73115515; 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	CoCpOAc_S	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1999.71577334; Eh
	9-Nov-2022	IM2_prime_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-3360.95177504; 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

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