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Browsing by Author Wang-Yeuk, Kong

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Nov-2023	/Comparison 33	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-935.666741316; Eh
2-Nov-2023	/Comparison 48	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2TZVP	-614.914710089; Eh
2-Nov-2023	/Comparison IM_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1833.08964080; Eh
2-Nov-2023	/Comparison IM_1_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1833.11767492; Eh
2-Nov-2023	/Comparison IM_4_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1512.34510746; Eh
2-Nov-2023	/Comparison IM_4_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1512.37216686; Eh
2-Nov-2023	/Comparison SF5_Radical	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-897.404494084; Eh
2-Nov-2023	/Comparison TS_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1833.06182902; Eh
2-Nov-2023	/Comparison TS_1_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1833.07382977; Eh
2-Nov-2023	/Comparison TS_4_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1512.32410969; Eh
2-Nov-2023	/Comparison TS_4_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1512.32498453; Eh
19-Sep-2022	/DDQ DDQ	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-1484.18099936; Eh
19-Sep-2022	/DDQ DDQ_Bpin	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-1895.23752361; Eh
19-Sep-2022	/DDQ DDQ_P	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-860.805460707; Eh
19-Sep-2022	/DDQ IM0	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-1271.70966068; Eh
19-Sep-2022	/DDQ IM5A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2755.90503651; Eh
19-Sep-2022	/DDQ IM5B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2756.00349004; Eh
19-Sep-2022	/DDQ IM6A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2755.97505379; Eh
19-Sep-2022	/DDQ IM7A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-2755.96737515; Eh
19-Sep-2022	/DDQ TS5A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-2755.88934875; Eh

Showing results 21 to 40 of 234 < previous next >