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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	/Indole_I2_dimer TS2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2312.23904620; Eh
	19-Sep-2022	/Indole_I2_dimer TS1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2312.21932724; Eh
	19-Sep-2022	/Pyrrole IM1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3901.71784788; Eh
	19-Sep-2022	/Pyrrole IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-968.197804106; Eh
	19-Sep-2022	/Thiophene TS3B_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-4205.30373289; Eh
	19-Sep-2022	/Furan_Ph IM2A_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3882.33912844; Eh
	19-Sep-2022	/Furan_Ph IM1B_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3522.60095080; Eh
	19-Sep-2022	/Thiophene TS4B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3845.48279586; Eh
	19-Sep-2022	/Furan_Ph IM1B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3882.37523549; Eh
	19-Sep-2022	/Furan_Ph IM1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3882.27360731; Eh

Results 51-60 of 108 (Search time: 0.001 seconds).