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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2025	TS1A_PMDETA_arm_out1_Na_TMP_H_toluene	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D) GEN	-1363.16711309; Eh
	21-Oct-2025	TS2Me_PMDETA_Na_toluene_SiMe3_Cl	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1823.55506363; Eh
	21-Oct-2025	I3_PMDETA_Na_toluene	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-954.089769550; Eh
	20-Apr-2026	/Radical_Abstractions/HAT/Boryl_Radical add1_B	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-813.859613584; Eh
	20-Apr-2026	/Radical_Abstractions/HAT/Boryl_Radical add2_B	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-813.868010888; Eh
	20-Apr-2026	/Radical_Abstractions/HAT/Boryl_Radical TS_HAT2	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	DEF2SVP	-813.859381703; Eh
	20-Apr-2026	/Radical_Abstractions/XAT add1_XAT	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-3096.78452248; Eh
	20-Apr-2026	/Radical_Abstractions/XAT TS_XAT	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	DEF2SVP	-3096.76448338; Eh
	20-Apr-2026	/Radical_Abstractions/XAT A3	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RwB97XD	DEF2SVP	-2865.45364105; Eh
	20-Apr-2026	/Radical_Abstractions/XAT P1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RwB97XD	DEF2SVP	-2805.30590453; Eh

Results 393111-393120 of 397899 (Search time: 0.256 seconds).