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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Aug-2022	Cy1	Sanjosé-Orduna, Jesus	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-235.832303729; Eh
	22-Aug-2022	/COOEt/singlet IM8_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2989.19472984; Eh
	22-Aug-2022	/COOEt/singlet IM7_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2989.15253706; Eh
	22-Aug-2022	/Me/triplet Catalyst_OAc2_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2228.01478897; Eh
	22-Aug-2022	/Me/triplet IM2_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2553.07412538; Eh
	22-Aug-2022	/Me/triplet IM1_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2781.77941854; Eh
	22-Aug-2022	/Me/triplet IM4_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2324.35191923; Eh
	22-Aug-2022	/Me/triplet TS6_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2761.70539239; Eh
	22-Aug-2022	/Me/triplet TS4_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2761.64136001; Eh
	22-Aug-2022	/Me/triplet TS5_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2761.66099049; Eh

Results 31-40 of 754 (Search time: 0.001 seconds).