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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Apr-2026	521U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2390.83739290; Eh
	16-Apr-2026	53U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2331.70138225; Eh
	16-Apr-2026	8U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2124.94630386; Eh
	16-Apr-2026	58U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2164.24246327; Eh
	20-Apr-2026	/MECP scan_S.com	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1337.06950367; Eh
	20-Apr-2026	/MECP scan_T.com	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1337.02393538; Eh
	20-Apr-2026	/MECP R1_T	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1337.05969583; Eh
	21-Oct-2025	I5Me_PMDETA_Na_Cl_toluene_SiMe3	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1823.56050265; Eh
	21-Oct-2025	TS1B_PMDETA_arm_out2_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	-1363.17263871; Eh
	21-Oct-2025	I4Me_PMDETA_Na_toluene_SiMe3Cl	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1823.56362934; Eh

Results 393101-393110 of 397899 (Search time: 0.273 seconds).