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Browsing by Author Cao, Yumeng

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
16-Nov-2023	Figure2_1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-3133.61158903; Eh
16-Nov-2023	Figure2_2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-3133.62898547; Eh
16-Nov-2023	Figure2_3	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-3133.63136417; Eh
16-Nov-2023	Figure2_5	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-3133.59202322; Eh
16-Nov-2023	Figure2_TS12	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-3133.59237813; Eh
16-Nov-2023	Figure2_TS23	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-3133.60796506; Eh
16-Nov-2023	Figure2_TS25	Cao, Yumeng	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPW6B95D3	DEF2SVP	-3133.58215934; Eh
16-Nov-2023	Figure2_TS56	Cao, Yumeng	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPW6B95D3	DEF2SVP	-3133.56771471; Eh
16-Nov-2023	Figure3_1_H	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.38716997; Eh
16-Nov-2023	Figure3_1_SCH2TMS	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPW6B95D3	DEF2TZVP	-2864.7165362; Eh
16-Nov-2023	Figure3_2_H	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.41196335; Eh
16-Nov-2023	Figure3_2_SCH2TMS	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2863.05904213; Eh
16-Nov-2023	Figure3_3_H	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.44103226; Eh
16-Nov-2023	Figure3_3_SCH2TMS	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2863.08431419; Eh
16-Nov-2023	Figure3_TS12_H	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2016.36528063; Eh
16-Nov-2023	Figure3_TS12_SCH2TMS	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2863.01912403; Eh
16-Nov-2023	Figure3_TS23_H	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2016.40305310; Eh
16-Nov-2023	Figure3_TS23_SCH2TMS	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2863.04730066; Eh
16-Nov-2023	Figure4_2_CCH2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-443.814856416; Eh
16-Nov-2023	Figure4_2_CO	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-479.759960982; Eh

Showing results 1 to 20 of 39 next >