Literature DB >> 18647024

H4(+): what do we know about it?

Alexander Alijah1, António J C Varandas.   

Abstract

The potential energy surface of H(4)(+) has been analyzed and stationary points and minima of intersections characterized by benchmark multireference configuration interaction calculations with basis sets as large as augmented septuble zeta. No evidence for minima other than those of the well established stable C(2v) configuration has been found. Some of the results obtained previously at a lower level of ab initio theory had to be revised.

Year:  2008        PMID: 18647024     DOI: 10.1063/1.2953571

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Non-adiabatic couplings and dynamics in proton transfer reactions of Hn (+) systems: Application to H2+H2 (+)→H+H3 (+) collisions.

Authors:  Cristina Sanz-Sanz; Alfredo Aguado; Octavio Roncero; Fedor Naumkin
Journal:  J Chem Phys       Date:  2015-12-21       Impact factor: 3.488

  1 in total

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