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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2022	/COOEt/singlet TS5_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13735151; Eh
	22-Aug-2022	/COOEt/singlet TS6_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.18643322; Eh
	22-Aug-2022	/Me/triplet IM6_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2761.70638901; Eh
	22-Aug-2022	/Me/triplet IM8_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2761.72289088; Eh
	22-Aug-2022	/Me/triplet IM7_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2761.67504749; Eh
	22-Aug-2022	/Me/triplet IM9_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2324.43376442; Eh
	22-Aug-2022	/Me/triplet TS3_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2761.62704054; Eh
	22-Aug-2022	/Me/triplet TS2_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2553.03069617; Eh
	9-Aug-2022	Py1	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-861.516123619; Eh
	9-Aug-2022	Cy2	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-31+G(D,P)	-235.163066381; Eh

Results 21-30 of 754 (Search time: 0.002 seconds).