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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Aug-2022	/Me/singlet IM8_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2761.72040061; Eh
22-Aug-2022	/Me/singlet IM2_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2553.06535222; Eh
22-Aug-2022	/Me/singlet IM9_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2324.42271724; Eh
22-Aug-2022	/Me/singlet IM1_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2781.76837338; Eh
22-Aug-2022	/Me/singlet TS6_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-2761.71045633; Eh
22-Aug-2022	/Me/singlet TS2_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-2553.04178719; Eh
22-Aug-2022	/Me/singlet Maleimide	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-437.274002225; Eh
22-Aug-2022	/Me/singlet substrate	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-553.738799773; Eh
22-Aug-2022	/Me/singlet AcOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-228.675849164; Eh

Results 41-49 of 49 (Search time: 0.001 seconds).