169 citations · 593 across the 39 of their papers we have counts for
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physics.chem-ph2021★ 11 cited
Extensive Quantum Chemistry Study of Neutral and Charged CN Chains. An Attempt to Aid Astronomical Observation
Ioan Baldea
Many molecular species can presumably still be observed in space if they are adequately characterized chemically. In this paper, we suggest that this could be the case of the neutr…
physics.chem-ph2021★ 23 cited
Alternation of Singlet and Triplet States in Carbon-Based Chain Molecules and Its Astrochemical Implications. Results of an Extensive Theoretical Study
Ioan Baldea
A variety of homologous carbon chains (HCnH, HCnN, CnS, CnO, and OCnO) are found to exhibit an appealing even-odd effect. Chains containing a number of carbon atoms of a certain pa…
cond-mat.mes-hall2021★ 19 cited
Why Asymmetric Molecular Coupling to Electrodes Cannot Be at Work in Real Molecular Rectifiers
Ioan Baldea
Every now and then one can hear in the molecular electronics community that asymmetric couplings () of the dominant level (molecular orbital) to electrodes ( a…