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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	/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
	19-Jul-2023	syn-a-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2718.13663931; Eh
	19-Jul-2023	syn-c-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-1632.71743222; Eh
	19-Jul-2023	anti-a-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2718.15701882; Eh
	19-Jul-2023	anti-c-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-1632.72807883; Eh
	16-Jan-2024	TS-3	Laconsay, Croix	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-4391.05714213; Eh

Results 31-40 of 49 (Search time: 0.002 seconds).