Results 101 to 110 of about 13,936 (258)
Theoretical Organic Chemistry [PDF]
Nature, 1943 THIS “entirely revised edition” retains many of the features which characterized the earlier editions. The rapid growth of organic chemistry, however, makes the task of the reviser ever more difficult, and although an earnest attempt has undoubtedly been made to bring this 'classic' up to date by the addition of new chapters, after forty years surely ...
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Advanced Functional Materials, EarlyView.In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund +6 more
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MoleculesThe critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels–Alder (P-
Luis R. Domingo, Mar Ríos-Gutiérrez
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Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films
Advanced Functional Materials, EarlyView.The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram +2 more
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Theoretical Study on the Kinetics of the Rubisco Carboxylase Reaction by a Model Based on Quantum Chemistry and Absolute Reaction Rate Theory [PDF]
, 2022 Shin’ichiro Okude +3 more
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Focus on Quantum Crystallography
IUCrJThis editorial introduces the `Focus on Quantum Crystallography' collection, coinciding with the centenary of quantum mechanics and highlighting the convergence of crystallography and quantum theory.
Paulina M. Dominiak +2 more
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Advanced Functional Materials, EarlyView.A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer +12 more
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Synthone Chemistry. Theoretical Study on the Formation of Valine, Leucine, Isoleucine and Methionine [PDF]
, 2020 Gheorghe Surpateanu +3 more
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Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures [PDF]
, 2022 Katerina P. Hilleke, Eva Zurek
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Estudio teórico de endocanabinoides análogos a anandamida
Revista Científica, 2013 From computational methods, we studied a total of 90 reactions designed by the research group of AAUCTU pharmochemical aimed at determin- ing the possible synthesis and pharmacological activity of anandamide derivatives in Parkinson’s disease. We propose
Luis Carlos García Sánchez +2 more
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