Supersymmetry and the Hartmann Potential of Theoretical Chemistry [PDF]
, 1996 The ring-shaped Hartmann potential $ V = \eta \sigma^{2} \epsilon_{0} \left( \frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right) $ was introduced in quantum chemistry to describe ring-shaped molecules like benzene.
Blado, Gardo Garnet
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The role of chemistry in the oscillating combustion of hydrocarbons : an experimental and theoretical study [PDF]
, 2020 The stable operation of low-temperature combustion processes is an open challenge, due to the presence of undesired deviations from steady-state conditions: among them, oscillatory behaviors have been raising significant interest.
Battin-Leclerc, Frédérique +7 more
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N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations. [PDF]
Molecules, 2022 Mariwamy VH +15 more
europepmc +3 more sources
Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations. [PDF]
Materials (Basel), 2020 Rodríguez JA +3 more
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The physics and chemistry of dusty plasmas: A laboratory and theoretical investigation [PDF]
, 1986 Theoretical work on dusty plasmas was conducted in three areas: collective effects in a dusty plasma, the role of dusty plasmas in cometary atmospheres, and the role of dusty plasmas in planetary atmospheres (particularly in the ring systems of the giant
Whipple, E. C.
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Modern theoretical chemistry: the legacy of Prof. John N. Murrell. [PDF]
Philos Trans A Math Phys Eng Sci, 2018 Stace AJ, Clary DC.
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Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide
iScience, 2022 Summary: This work maps the thermodynamics of electrochemically generated C-nucleophiles for reactive capture of CO2. We identify a linear relationship between the pKa, the reduction potential of a protonated nucleophile (Ered), and the nucleophile’s ...
Haley A. Petersen +5 more
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Molecules, 2022 In this paper, we introduce specific approximations to simplify the vibronic treatment in modeling absorption and emission spectra, allowing us to include a huge number of vibronic transitions in the calculations.
Cheng Giuseppe Chen +3 more
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Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics [PDF]
Chemical Reviews, 2022 In this review, we present the theoretical foundations and first-principles frameworks to describe quantum matter within quantum electrodynamics (QED) in the low-energy regime, with a focus on polaritonic chemistry.
M. Ruggenthaler, D. Sidler, A. Rubio
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