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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_3,5-Me_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2943.91116896131643; Eh
	1-Apr-2026	Cr_Tpm_4-CF3_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-4494.24105939493165; Eh
	1-Apr-2026	Cr_Tpm_4-NH2_hs	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2807.03199999349727; Eh
	1-Apr-2026	Cr_Tpm_5-NH2_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2804.48909859334617; Eh
	1-Apr-2026	Cr_Tpm_3-NH2_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2807.05171896812863; Eh
	1-Apr-2026	Cr_Tpb_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2449.15706841758310; Eh
	2-Apr-2026	/Triplets_and_Bond_Dissociation_Energies 42-3diss_wB97XD_def2svp_SMD-DCM_ener_opt_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1205.33900491; Eh
	11-Aug-2025	LiTS3_Li_PMDETA_bthp_NBN_H_bthp	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-2586.92035668; Eh
	11-Aug-2025	TS2d_dimer_Na_PMDETA_bthp_NBN	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-3424.28837665; Eh
	11-Aug-2025	TS2c_Na_PMDETA_armout_bthp_NBN	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1737.60607664; Eh

Results 392921-392930 of 397899 (Search time: 0.282 seconds).