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Browsing by Author Wang-Yeuk, Kong

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Showing results 41 to 60 of 234 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Sep-2022	/DDQ TS5B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.89972609; Eh
19-Sep-2022	/DDQ TS6A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.89875977; Eh
19-Sep-2022	/DDQ TS6B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.98048989; Eh
19-Sep-2022	/DDQ TS7A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.96104459; Eh
19-Sep-2022	/DDQ TS8A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.96180397; Eh
5-Jul-2023	F_TS5_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-4606.34822619; Eh
5-Jul-2023	F_TS5_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-4606.34165727; Eh
19-Sep-2022	/Furan_Cyc IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-834.534872416; Eh
19-Sep-2022	/Furan_Cyc IM1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3768.03854517; Eh
19-Sep-2022	/Furan_Cyc IM1B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3768.15291901; Eh
19-Sep-2022	/Furan_Cyc IM2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3768.11275231; Eh
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	/Furan_Cyc TS2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3768.03811953; Eh
19-Sep-2022	/Furan_Me IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-757.229698193; Eh
19-Sep-2022	/Furan_Me IM1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3690.73249133; Eh
19-Sep-2022	/Furan_Me IM1B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3690.84878747; Eh
19-Sep-2022	/Furan_Me IM2A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-3690.80591214; Eh
19-Sep-2022	/Furan_Me TS1A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3690.73234009; Eh
19-Sep-2022	/Furan_Me TS1B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-3690.73429101; Eh

Showing results 41 to 60 of 234 < previous next >