Browsing by Author Sharma, Akhilesh Kumar
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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
1a | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* GENECP | -576.878141924; Eh | |||
1a_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -577.1079952; Eh | |||
2a | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -1826.83284257; Eh | |||
2a_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2111.8991233; Eh | |||
2a_A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -886.079766028; Eh | |||
2a_A_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1170.8205377; Eh | |||
3a | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* GENECP | -882.182063728; Eh | |||
3a_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -882.5161591; Eh | |||
A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -2066.96123900; Eh | |||
A_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2066.9859792; Eh | |||
B | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -3893.84611038; Eh | |||
B_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -4178.9151399; Eh | |||
C | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -3784.32631013; Eh | |||
C2A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -3420.46910464; Eh | |||
C2A_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3705.4034434; Eh | |||
C_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -4069.3533681; Eh | |||
C_1A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -3420.47648643; Eh | |||
C_1A_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3705.4081616; Eh | |||
C_A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | 6-31G* SDD GENECP | -2843.56166361; Eh | |||
C_A_(SP) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3128.2727174; Eh |