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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2024	/Single-Points Cl•ᐧᐧᐧTHF	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-692.7686867; Eh
	15-Jul-2024	/Single-Points P	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-463.7374123; Eh
	15-Jul-2024	/Single-Points Cl•	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-460.1694148; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ²TS_s16	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-4347.53496928; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ²TS_s17	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-4116.01490224; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ²I_s5	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-4116.09864793; Eh
	15-Jul-2024	/Single-Points PhCl	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-691.9964318; Eh
	15-Jul-2024	/Single-Points THF	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-232.5681041; Eh
	15-Jul-2024	/Single-Points COD	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-312.1960241; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s14	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-4347.72138235; Eh

Results 9401-9410 of 12842 (Search time: 0.007 seconds).