. "http://dx.doi.org/10.1002/qua.24061" . . "Density functional theory (DFT) calculations are reported for Eu@C74, where the considered C74 cage is either the IPR (isolated pentagon rule) species or two cages with a pentagonpentagon junction. Their relative thermodynamic production yields are evaluated using the DFT calculated terms and it is shown that the IPR-based Eu@C74 endohedral prevails at relevant temperatures in agreement with observation, however, isolation of a minor isomer should be possible."@en . "0020-7608" . "000314216800016" . . "Adamowicz, Ludwik" . . "[FD1DC6B144C1]" . . "5"^^ . . "Uhl\u00EDk, Filip" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . "10.1002/qua.24061" . "International Journal of Quantum Chemistry" . "5" . . "Slanina, Zden\u011Bk" . . . "Nagase, Shigeru" . . "Stability Calculations for Eu@C74 Isomers"@en . . "RIV/00216208:11310/13:10134037" . "RIV/00216208:11310/13:10134037!RIV14-GA0-11310___" . "Stability Calculations for Eu@C74 Isomers" . . . "5"^^ . "11310" . . . "113" . "107377" . . . "Lee, Shyi-Long" . "Density functional theory (DFT) calculations are reported for Eu@C74, where the considered C74 cage is either the IPR (isolated pentagon rule) species or two cages with a pentagonpentagon junction. Their relative thermodynamic production yields are evaluated using the DFT calculated terms and it is shown that the IPR-based Eu@C74 endohedral prevails at relevant temperatures in agreement with observation, however, isolation of a minor isomer should be possible." . . "Stability Calculations for Eu@C74 Isomers"@en . . . "nanoscience; Gibbs-energy evaluations; optimized syntheses; stability islands; DFT computations; lanthanoid encapsulations; C74 endohedrals; metallofullerenes"@en . "I, P(GAP208/10/0179), Z(MSM0021620857)" . "1"^^ . . "Stability Calculations for Eu@C74 Isomers" . .