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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Sep-2022	/Furan_Cyc TS1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3768.03761184; Eh
	19-Sep-2022	/Furan_Cyc TS1B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3768.03778044; Eh
	19-Sep-2022	/Indole_NBS IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-1121.68406652; Eh
	19-Sep-2022	/Indole_I2 IM1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2312.25009134; Eh
	19-Sep-2022	/Indole_I2 IM0B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2312.23215233; Eh
	19-Sep-2022	/Indole_NBS TS2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM062X	DEF2SVP	-4055.19026579; Eh
	19-Sep-2022	/Indole_I2 IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-1121.68406652; Eh
	19-Sep-2022	/Furan_Ph IM2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3882.34154901; Eh
	19-Sep-2022	/Furan_Ph TS3A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3882.34637285; Eh
	30-Apr-2024	TS11	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5419705; Eh

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