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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Mar-2023	/substituent_effect TS3C4_CF3(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-6461.5463435; Eh
2-Mar-2023	/substituent_effect TS3C4_CF3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6461.54629083; Eh
2-Mar-2023	/substituent_effect TS3C4_diOMe(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-6353.6970191; Eh
22-Apr-2023	TS6C3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-2043.60917262; Eh
2-Mar-2023	TS0(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-4731.46267273; Eh
22-Apr-2023	IM5C3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-1814.94858523; Eh
22-Apr-2023	TSB(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-4387.23691775; Eh
2-Mar-2023	TS1C3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-1894.65027231; Eh
2-Mar-2023	IM3C4(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-6125.0564171; Eh
2-Mar-2023	IM2C3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-5896.41967354; Eh

Results 1-10 of 34 (Search time: 0.002 seconds).