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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Apr-2026	Cr_Tpm_5-CF3_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-4492.31826664308574; Eh
	1-Apr-2026	Cr_Tpm_4-OCH3_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-3159.63526659588842; Eh
	1-Apr-2026	Cr_Tpm_4-OCH3_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-3159.63591846627696; Eh
	1-Apr-2026	Cr_Tpm_4-COOH_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-3603.18442952309670; Eh
	1-Apr-2026	Cr_Tpm_4-COOH_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-3606.19583446867728; Eh
	1-Apr-2026	Cr_Tpm_3-CF3_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-4490.43705336495441; Eh
	1-Apr-2026	Cr_Tpm_3-Cl_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-5228.11262267156690; Eh
	1-Apr-2026	Cr_Tpm_3-Cl_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-5232.22518887857404; Eh
	1-Apr-2026	Cr_Tpm_5-Cl_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-5228.11615342769710; Eh
	2-Apr-2026	/Triplets_and_Bond_Dissociation_Energies 30_wB97XD_def2svp_SMD-DCM_ener_opt_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1757.77050722; Eh

Results 392421-392430 of 397899 (Search time: 0.24 seconds).