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Showing results 1 to 20 of 112 next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Aug-2023	/1s 1s_IM1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.26805864; Eh
12-Aug-2023	/1s 1s_R	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.29145605; Eh
12-Aug-2023	/1s 1s_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1497.26679336; Eh
12-Aug-2023	/1s 1s_TS2_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1497.25746651; Eh
12-Aug-2023	/1s 1s_TS2_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1497.25746654; Eh
12-Aug-2023	/1s 2s_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.29381643; Eh
12-Aug-2023	/1s 2s_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.33215070; Eh
12-Aug-2023	/1t 1t_IM1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1615.14987665; Eh
12-Aug-2023	/1t 1t_R	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1615.17385686; Eh
12-Aug-2023	/1t 1t_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1615.14931638; Eh
12-Aug-2023	/1t 1t_TS2_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1615.12074482; Eh
12-Aug-2023	/1t 1t_TS2_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1615.14150758; Eh
12-Aug-2023	/1t 2t_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1615.18033604; Eh
12-Aug-2023	/1t 2t_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1615.21827413; Eh
12-Aug-2023	/3a_Me 3a_me_IM1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1593.89829792; Eh
12-Aug-2023	/3a_Me 3a_me_R	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1593.92422735; Eh
12-Aug-2023	/3a_Me 3a_me_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.89644731; Eh
12-Aug-2023	/3a_Me 3a_me_TS2_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.85158439; Eh
12-Aug-2023	/3a_Me 3a_me_TS2_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.86740111; Eh
12-Aug-2023	/3a_Me 4a_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1593.89144154; Eh

Showing results 1 to 20 of 112 next >