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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2023	/substituent_effect TS3C4_diOMe(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-6353.6970191; Eh
	2-Mar-2023	/substituent_effect cyclopropanol_diOMe	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-651.997600614; Eh
	2-Mar-2023	IM2C3(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-5896.4196862; Eh
	2-Mar-2023	TS4C4(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-2388.59706790; Eh
	2-Mar-2023	Cu2(OAc)4(MeOH)(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-4423.61759319; Eh
	2-Mar-2023	AcOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-228.662127995; Eh
	2-Mar-2023	/substituent_effect cyclopropanol_OMe	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-537.686543752; Eh
	2-Mar-2023	RhCl2(p-cym)(MeOH)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-1519.09984549; Eh
	2-Mar-2023	isoquinolone	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-722.942111042; Eh
	2-Mar-2023	TS4C4(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-2388.61006106; Eh

Results 1-10 of 41 (Search time: 0.001 seconds).