Zobrazeno 1 - 10
of 134
pro vyhledávání: '"Ioan Bâldea"'
Autor:
Ioan Bâldea
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 23, p 14985 (2022)
Temperature (T) dependent conductance G=G(T) data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of lnG versus 1/T decreasi
Externí odkaz:
https://doaj.org/article/b5b6d6bdb4d948fdbb730d4ad6d731df
Autor:
Ioan Bâldea
Publikováno v:
Molecules, Vol 27, Iss 22, p 8092 (2022)
Totally ignoring that the five enthalpies of reaction—bond dissociation enthalpy (BDE), adiabatic ionization potential (IP), proton dissociation enthalpy (PDE), proton affinity (PA), and electron transfer enthalpy (ETE)—characterizing the three f
Externí odkaz:
https://doaj.org/article/aabe9260ece042dab034aab6fe95473e
Autor:
Ioan Bâldea
Publikováno v:
Molecules, Vol 27, Iss 15, p 5036 (2022)
The pharmaceutical success of atorvastatin (ATV), a widely employed drug against the “bad” cholesterol (LDL) and cardiovascular diseases, traces back to its ability to scavenge free radicals. Unfortunately, information on its antioxidant properti
Externí odkaz:
https://doaj.org/article/0210f24b4c274df2b003bfb7d2f97666
Autor:
Ioan Bâldea
Publikováno v:
Molecules, Vol 27, Iss 10, p 3100 (2022)
To be detectable in space via radio astronomy, molecules should have a permanent dipole moment. This is the plausible reason why HCnH chains are underproportionally represented in the interstellar medium in comparison with the isoelectronically equiv
Externí odkaz:
https://doaj.org/article/c1112de4acf84bfd868351759d5ded97
Autor:
Ioan Bâldea
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 7, Iss 1, Pp 418-431 (2016)
As a sanity test for the theoretical method employed, studies on (steady-state) charge transport through molecular devices usually confine themselves to check whether the method in question satisfies the charge conservation. Another important test of
Externí odkaz:
https://doaj.org/article/52673609957c4ebba364aa181b8c1e03
Autor:
Ioan Bâldea
Statins form a class of drugs often administered in a variety of cardiovascular diseases, for which their antioxidant capacity appears particularly relevant. Although experiments have long provided empirical evidence that statins can suppress various
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39a25f74fb52fd0e09a3f3666942e025
https://doi.org/10.26434/chemrxiv-2023-g5kwc
https://doi.org/10.26434/chemrxiv-2023-g5kwc
Autor:
Ioan, Bâldea
Publikováno v:
Molecules (Basel, Switzerland). 27(10)
To be detectable in space via radio astronomy, molecules should have a permanent dipole moment. This is the plausible reason why HC
Publikováno v:
Nanoscale. 13:16755-16768
Metal-molecule-metal junctions based on alkane thiol (CnT) and oligophenylene thiol (OPTn) self-assembled monolayers (SAMs) and Au electrodes are expected to exhibit similar electrical asymmetry, as both junctions have one chemisorbed Au–S contact
Autor:
Ioan Bâldea
Publikováno v:
Monthly Notices of the Royal Astronomical Society. 498:4316-4326
In this paper, we report results of an extensive theoretical study on MgC4H chains conducted at DFT and CCSD(T) levels motivated by the recent discovery of this species in IRC+10216. A detailed characterization of both neutral and charged species is
Autor:
Ioan Bâldea
Publikováno v:
Monthly Notices of the Royal Astronomical Society. 493:2506-2510
Based on a theoretical study of neutral, anion, and cation $\text{C}_{4}\text{N}$ chains, we suggest that this molecular species can still be observed in space. We analyse the dependence on n of the enthalpies of formation across the $\text{C}_{{{ n}