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Supramolecular Chemistry in the 3rd Millennium [PDF]
, 2022 This Special Issue is one of the first for the new MDPI flagship journal Chemistry (ISSN 2624-8549) which has a broad remit for publishing original research in all areas of chemistry.
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Indian Journal of Pharmaceutical Education and Research, 2023 Background: Physical chemistry is an important theoretical basic course that supports the development of medicine and pharmacies. Physical chemistry teaching is usually a process of traditional teaching and passive acceptance.
Xiaojun Deng +3 more
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Educational activities for physical pharmacy classes on colloids [PDF]
, 2021 Colloids are an important component of physical chemistry and physical pharmacy curricula. In pharmacy, colloidal systems and concepts are encountered in dosage forms (e.g., suspensions, emulsions) and many drug delivery systems (e.g., nanoparticles ...
Nyamweya, Nasser N.
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Guest Editorial: Special Topic on Data-enabled Theoretical Chemistry [PDF]
Matthias Rupp, O. Anatole von Lilienfeld, Kieron Burke: Guest
Editorial: Special Topic on Data-enabled Theoretical Chemistry, The Journal
of Chemical Physics 148(24): 241401, 2018, 2018 A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.
arxiv +1 more source
Erfonium: A Hooke Atom with Soft Interaction Potential [PDF]
In: Grabowski, I., S{\l}owik, K., Maruani, J., Br\"andas, E.J.
(eds) Advances in Methods and Applications of Quantum Systems in Chemistry,
Physics, and Biology. Progress in Theoretical Chemistry and Physics, 34, 60
(2024) Springer, Cham, 2023 Properties of erfonium, a Hooke atom with the Coulomb interaction potential $1/r$ replaced by a non-singular $\text{erf}(\mu r)/r$ potential are investigated. The structure of the Hooke atom potential and properties of its energy spectrum, relative to the ones of the spherical harmonic oscillator and of harmonium, are analyzed.
arxiv +1 more source
Identifying (BN)2-pyrene as a new class of singlet fission chromophores: significance of azaborine substitution [PDF]
, 2018 Singlet fission converts one photoexcited singlet state to two triplet excited states and raises photoelectric conversion efficiency in photovoltaic devices.
Mellerup, Soren +5 more
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Solvation thermodynamics of organic molecules by the molecular integral equation theory : approaching chemical accuracy [PDF]
, 2015 The integral equation theory (IET) of molecular liquids has been an active area of academic research in theoretical and computational physical chemistry for over 40 years because it provides a consistent theoretical framework to describe the structural ...
Fedorov, Maxim V. +2 more
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Bio-Protocol, 2021 Understanding the function of oligonucleotides on a molecular level requires methods for studying their structure, conformational changes, and internal dynamics.
Maria Vicino +2 more
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Theoretical Challenges in Polaritonic Chemistry [PDF]
ACS Photonics 9, 1096 (2022), 2021 Polaritonic chemistry exploits strong light-matter coupling between molecules and confined electromagnetic field modes to enable new chemical reactivities. In systems displaying this functionality, the choice of the cavity determines both the confinement of the electromagnetic field and the number of molecules that are involved in the process, whereas ...
arxiv +1 more source
TG-DTG analysis of fruit-based waste pyrolysis: A case study of goji berry mesocarp [PDF]
, 2022 This work considers possible uses of fruit-based waste for the production of valuable chemicals and biofuel precursors through recycling by thermochemical conversion.
Janković, Bojan +4 more
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