Physical chemistry chemical physics : PCCP
Calcium carbides: can hexa-carbides grow unlimitedly? Theoretical perspectives and issues that oppose a definite answer.
A J C Varandas
Published: 202610.1039/d5cp02006a
Abstract
Quasi-molecule theory and 'tiles' embedded on the parent molecules are used to investigate whether calcium hexa-carbides can attain linearity irrespective of their size. By assuming that some small carbon clusters may behave pseudo-atomic-like, the a…
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