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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2023	TS1C4(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-1894.61172746; 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	/substituent_effect cyclopropanol_CF3	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-759.855712162; 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	AcO-	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-228.191567222; 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	IM1C3(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-1666.02623991; Eh
	2-Mar-2023	Cu2(OAc)2(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVPP	-3736.29419960; Eh
	2-Mar-2023	Cu2(OAc)2(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-3736.41500506; Eh
	2-Mar-2023	AcOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-228.662127995; Eh

Results 31-40 of 46 (Search time: 0.002 seconds).