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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Mar-2026	TS14-15	Schmidtke, Inga Lena; Nova, Ainara	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	DEF2SVP	-3160.06025810; Eh
	30-Mar-2026	TS5-45	Schmidtke, Inga Lena; Nova, Ainara	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-2261.7748779; Eh
	1-Apr-2026	/EEE-GGPP isomer calculations GGPP-Monocycle TS IRCr product: monocycle intermediate	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1298.96710263; Eh
	1-Apr-2026	/EEE-GGPP isomer calculations GGPP-Bicycle TS IRCr product: EEE-GGPP	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1298.96090279; Eh
	1-Apr-2026	/EZE-GGPP isomer calculations GGPP-Bicycle IRCf product: EZE-GGPP	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1298.95889742; Eh
	1-Apr-2026	/EZE-GGPP isomer calculations Monocycle-Bicycle TS	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1298.96956999; Eh
	1-Apr-2026	Cr_Tpm_4-CF3_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-4497.23443441424388; Eh
	1-Apr-2026	Cr_Tpm_3-Me_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2709.21427288530231; Eh
	31-Mar-2026	/Frequency + Opt Conformer_1	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-857.972492634; Eh
	31-Mar-2026	/Frequency + Opt Conformer_2	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-857.972588702; Eh

Results 393401-393410 of 397867 (Search time: 0.226 seconds).