Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020GD2H2OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P) GENECP-76.4251652220; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4OH_5_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.66540052; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OH_-5_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.93848952; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4Or_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.97655280; Eh
thumbnail.jpeg20-Nov-2020Co-OH2_-4_1Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3910.83437402; Eh
thumbnail.jpeg20-Nov-2020Co-OH_-6_4Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-3910.55270933; Eh
thumbnail.jpeg20-Nov-2020bs1Fe4-SK-OO_-7_20decoordBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7074.27375280; Eh
thumbnail.jpeg20-Nov-2020bs1Fe4-SK-OO_-7_20coordBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7074.27646388; Eh
thumbnail.jpeg20-Nov-2020bs1Fe-O-OH2_TS1B2-5_5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-3964.11738995; Eh
thumbnail.jpeg20-Nov-2020Co-OH2_-5_4Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-3911.03918881; Eh
Results 71-80 of 347 (Search time: 0.001 seconds).