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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 INT2c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-1885.62573187; Eh
	9-Nov-2022	/enamine/DCM TS2c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D)	-1885.61798141; Eh
	9-Nov-2022	TS1_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-3360.95501805; Eh
	9-Nov-2022	IM2_S	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-3360.94964856; Eh
	9-Nov-2022	/model I	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-1218.74322952; Eh
	9-Nov-2022	/model INT1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D)	-1218.70420486; Eh
	9-Nov-2022	/model TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D)	-1218.71931766; Eh
	9-Nov-2022	/model II	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-1218.77975161; Eh
	9-Nov-2022	/model TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D)	-1218.70420486; Eh
	9-Nov-2022	/enone 1a	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-1826.92580124; Eh

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