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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_CF3(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6461.54629083; Eh
	2-Mar-2023	TS0(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-4731.46267273; Eh
	2-Mar-2023	TS0(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-4731.4625081; Eh
	2-Mar-2023	/substituent_effect TS3C4_OMe(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6239.38299921; Eh
	2-Mar-2023	/substituent_effect TS3C4_OMe(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6239.367556; Eh
	2-Mar-2023	TS2C3(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-5896.38624344; Eh
	2-Mar-2023	TS3C4(S)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6125.06389632; Eh
	2-Mar-2023	TS3C4(Q)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-6125.03094527; Eh
	9-Jan-2024	/model_system TS4_H-cis-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80811628; Eh
	9-Jan-2024	/model_system TS4_H-cis-boat-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80517408; Eh

Results 1-10 of 65 (Search time: 0.002 seconds).