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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3i-ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-91.2675806051; Eh
	26-Feb-2024	ch3ph2-o-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-457.763747799; Eh
	26-Feb-2024	ch3h2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-40.8584213657; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²I_s5	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4116.8176725; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²TS_s17	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4116.7416602; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²TS_s16	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.3400684; Eh
	15-Jul-2024	/Single-Point_SI_Additional ³TS_s13_c2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4813.6938006; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s15_c1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.4979959; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹I_s3	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.5903355; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s15	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.5077337; Eh

Results 9311-9320 of 12842 (Search time: 0.008 seconds).