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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2024	TS2_C	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1294.74202605; Eh
	28-Mar-2024	/benchmark TS1_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	6-31G(D,P)	-772.778957220; Eh
	28-Mar-2024	TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UM062X	6-31G(D,P)	-772.392133399; Eh
	30-Apr-2024	TS3_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.929330715; Eh
	30-Apr-2024	TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.929670875; Eh
	30-Apr-2024	TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.965621462; Eh
	30-Apr-2024	TS8_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5475575; Eh
	30-Apr-2024	TS6_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5486339; Eh
	30-Apr-2024	TS7_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5077811; Eh
	30-Apr-2024	TS7	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5071063; Eh

Results 1371-1380 of 1449 (Search time: 0.003 seconds).