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Browsing by Author Cao, Yumeng

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Showing results 21 to 39 of 39 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Nov-2023	Figure4_2_freecarbene	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-404.410230513; Eh
	16-Nov-2023	Figure4_3_CCH2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-443.870131309; Eh
	16-Nov-2023	Figure4_3_CO	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-479.809378092; Eh
	16-Nov-2023	Figure4_3_freecarbene	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-404.439190188; Eh
	16-Nov-2023	Figure4_TS23_CCH2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-443.814256356; Eh
	16-Nov-2023	Figure4_TS23_CO	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-479.757887466; Eh
	16-Nov-2023	Figure4_TS23_freecarbene	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-404.401777760; Eh
	16-Nov-2023	Figure6_1_CH	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2000.34575508; Eh
	16-Nov-2023	Figure6_1_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.38716925; Eh
	16-Nov-2023	Figure6_2_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.41478606; Eh
	16-Nov-2023	Figure6_5_CH	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2000.34900724; Eh
	16-Nov-2023	Figure6_5_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.37922650; Eh
	16-Nov-2023	Figure6_6_CH	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2000.39301379; Eh
	16-Nov-2023	Figure6_6_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPW6B95D3	DEF2SVP	-2016.44103223; Eh
	16-Nov-2023	Figure6_TS12_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2016.36455924; Eh
	16-Nov-2023	Figure6_TS15_CH	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	DEF2SVP	-2000.34554204; Eh
	16-Nov-2023	Figure6_TS25_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2016.35739802; Eh
	16-Nov-2023	Figure6_TS56_CH	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2000.33542737; Eh
	16-Nov-2023	Figure6_TS56_N	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPW6B95D3	DEF2SVP	-2016.35888106; Eh

Showing results 21 to 39 of 39 < previous