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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2025	TS2B_homodimer_not_SN2_PMDETA_Na_toluene_SiEt3_Cl	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D) GEN	-2895.59353152; Eh
	21-Oct-2025	TS2C_PMDETA_Na_toluene_SiEt3_Cl_same_side	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1941.46443451; Eh
	21-Oct-2025	TS2D_heterodimer_PMDETA_Na_toluene_SiEt3_Cl	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D) GEN	-3033.19463003; Eh
	21-Oct-2025	TS1C_dimer_PMDETA_arm_Na_TMP_H_toluene	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-2454.88569420; Eh
	16-Apr-2026	2151U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-3160.82216386; Eh
	16-Apr-2026	254U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-3243.64291748; Eh
	16-Apr-2026	0583U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2453.35436267; Eh
	16-Apr-2026	54U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2920.70728022; Eh
	16-Apr-2026	309U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2485.50230669; Eh
	20-Apr-2026	/Marcus_Theory/EnT/Landa_R BP2_T	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RwB97XD; UwB97XD	DEF2SVP	-575.9044173; Eh

Results 392611-392620 of 397899 (Search time: 0.251 seconds).