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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5588429; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrRdppfPMe3_sqbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8111.5940213; Eh
	15-Jul-2024	/Single-Point_SI_Additional ³I_s1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.5976496; Eh
	15-Jul-2024	/Single-Point_SI_Additional ³TS_s10	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.533332; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²TS_s9	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GENECP	-1445.5409631; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²TS_s8	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GENECP	-1445.5439864; Eh
	15-Jul-2024	/Single-Points ³Eᴘʀᴄ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-2782.4179507; Eh
	15-Jul-2024	/Single-Points TS6	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-3243.19952; Eh
	15-Jul-2024	/Single-Points TS5	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-3010.6098025; Eh
	15-Jul-2024	/Single-Points ²L	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-2782.3770552; Eh

Results 561-570 of 748 (Search time: 0.002 seconds).