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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2718.17084141; Eh
19-Jul-2023	anti-c-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-1632.72807883; Eh
19-Jul-2023	anti-d	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1632.76606380; Eh
19-Jul-2023	II	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2267.26826547; Eh
19-Jul-2023	syn-d	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1632.75592916; 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	V	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1181.84186710; Eh

Results 211-218 of 218 (Search time: 0.002 seconds).