Publication

array(14 items)
   uid => 950 (integer)
   title => 'Are the chemical families still there? Formal structure of similarity of ele
      ments and its thermochemical domain' (111 chars)
   abstract => 'The periodic table organizes chemical elements into families based on their 
      similarity, now understood through Quantum Mechanics. However, these familie
      s were inferred from limited compounds in the nineteenth century. Since then
      , the number of compounds has exponentially grown, leading to the discovery 
      of new types unknown to pioneers. This situation prompts the question of whe
      ther these families can still be discerned from the amassed data, or if thei
      r recognition is confined to specific thermochemical domains. To address thi
      s inquiry, we conducted a comprehensive exploration by comparing formulae (1
      771–2015) as a proxy for chemical similarity. Our findings reveal that sto
      ichiometry not only captures a significant portion of the trends observed wi
      thin families but also unveils other intriguing features of the formal struc
      ture of chemical similarity. These patterns approach equivalence classes ind
      ependent of thermochemical context and demonstrate high resilience. Temporal
       analysis demonstrates that, since approximately 1980, similarity is diminis
      hing due to an increasing production of unique formulae for nearly all eleme
      nts. Nevertheless, chemical families endure over time and they stand out as 
      the most robust similarity patterns. Our analysis offers compelling evidence
       that any study will reach the same conclusions, provided there is a suffici
      ent diversity in input compound data.' (1405 chars)
   authors => array(5 items)
      0 => array(3 items)
         last_name => 'Llanos Ballestas' (16 chars)
         first_name => 'Eugenio' (7 chars)
         sorting => 1 (integer)
      1 => array(3 items)
         last_name => 'Leal' (4 chars)
         first_name => 'Wilmer' (6 chars)
         sorting => 2 (integer)
      2 => array(3 items)
         last_name => 'Bernal' (6 chars)
         first_name => 'Andrés' (7 chars)
         sorting => 3 (integer)
      3 => array(3 items)
         last_name => 'Jost' (4 chars)
         first_name => 'Jürgen' (7 chars)
         sorting => 4 (integer)
      4 => array(3 items)
         last_name => 'Stadler' (7 chars)
         first_name => 'Peter Florian' (13 chars)
         sorting => 5 (integer)
   type => '0' (1 chars)
   keywords => '' (0 chars)
   year => 2024 (integer)
   affiliation => 0 (integer)
   link_paper => '' (0 chars)
   link_supplements => '' (0 chars)
   file_published => 0 (integer)
   journal => 'Proc. Roy. Soc. A' (17 chars)
   doi => '10.1098/rspa.2024.0165' (22 chars)
   preprint => '-1' (2 chars)