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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Mar-2026	Rh10	Schmidtke, Inga Lena; Nova, Ainara	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06	DEF2SVP DEF2TZVP	-2642.8859388; Eh
	1-Apr-2026	/EZE-GGPP isomer calculations Monocycle-Bicycle IRCf product: monocycle intermediate	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1298.96963106; Eh
	1-Apr-2026	/EZE-GGPP isomer calculations GGPP-Monocycle TS2	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1298.95517621; Eh
	1-Apr-2026	/EZE-GGPP isomer calculations GGPP-Bicycle IRCr product: bicyclic intermediate	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1298.98573042; Eh
	1-Apr-2026	/EEE-GGPP isomer calculations Monocycle-Bicycle TS	Torrence, Ian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1298.96695647; Eh
	1-Apr-2026	Cr_Tpm_4-Cl_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-5232.37617900145869; Eh
	1-Apr-2026	Cr_Tpm_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2474.63259871361561; Eh
	31-Mar-2026	/Frequency + Opt Conformer_4	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-857.972421903; Eh
	31-Mar-2026	/NMR Conformer_3	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RmPW1PW91	6-311+G(2D,P)	-857.8822836; Eh
	31-Mar-2026	/NMR Conformer_4	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RmPW1PW91	6-311+G(2D,P)	-857.8818354; Eh

Results 392411-392420 of 397899 (Search time: 0.228 seconds).