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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-Oct-20204cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-2142.73816963; Eh
Login required7-Oct-20203cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-1954.16635197; Eh
Login required7-Oct-20206cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2143.82360605; Eh
Login required7-Oct-20207cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2067.38229194; Eh
thumbnail.jpeg16-Feb-2018PCo4_S1prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7087.26843352; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OH2_-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.07571755; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4OH_7_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.88386026; Eh
thumbnail.jpeg16-Feb-2018PCo4_S1_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7086.79384448; Eh
thumbnail.jpeg20-Nov-2020GD2FeOHFe2FeOH_8_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.78329308; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OH2_-5_22Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.64039006; Eh
Results 31-40 of 216 (Search time: 0.001 seconds).