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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jul-2024	para-TS2-HD-Ph	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1841.51140280; Eh
	4-Jul-2024	Pd3OAc6	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP	-1753.91283451; Eh
	4-Jul-2024	TS1	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1021.35898292; Eh
	4-Jul-2024	TS4	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1254.34426579; Eh
	14-Jun-2024	/631Gd/M06L TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06L	6-31G(D)	-347.963647101; Eh
	14-Jun-2024	/631Gd/M06L B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	6-31G(D)	-347.989098090; Eh
	14-Jun-2024	/631Gd/M06L A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	6-31G(D)	-347.979973402; Eh
	14-Jun-2024	/631Gd/M06L TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06L	6-31G(D)	-347.979706030; Eh
	4-Jul-2024	meta-TS2-benzontrile	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1233.04088576; Eh
	4-Jul-2024	int4a	Oliveira, Daniel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP	-1137.73651954; Eh

Results 441-450 of 724 (Search time: 0.001 seconds).